%chk=000085966.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085966

0 1
 O    4.143300      -1.126300     -7.4400000E-02
 N    4.568900       1.098900     -4.9999999E-03
 C    9.528000      0.3078000      5.3300001E-02
 C    8.099500     -0.1267000      1.8200001E-02
 C    10.29910     -0.1882000      -1.208100    
 C    10.25950     -0.2607000       1.307700    
 C    9.756200       1.854300      0.1015000    
 C    7.086400      0.8430000      2.8800000E-02
 C    7.796500      -1.493200     -2.5000000E-02
 C    5.754800      0.4049000     -4.9999999E-03
 C    5.498200     -0.9576000     -4.7200002E-02
 C    6.473600      -1.947000     -5.9099998E-02
 C    3.661600      0.1479000     -4.6300001E-02
 C    2.229300      0.2591000     -6.4900003E-02
 C    1.435100     -0.8903000     -0.1089000    
 C    1.621400       1.517500     -4.1299999E-02
 C  -0.5576000      0.4760000     -0.1054000    
 C   4.4599999E-02 -0.7820000     -0.1292000    
 C   0.2309000       1.625900     -6.1500002E-02
 C   -2.007600      0.5883000     -0.1277000    
 C   -4.238600     -0.3220000      0.1623000    
 C   -7.039800     -0.1278000      5.8400001E-02
 C   -2.808700     -0.4208000      0.2157000    
 C   -8.482100     -2.7700000E-02  5.2000000E-03
 C   -4.861200      0.6589000     -0.6280000    
 C   -5.046800      -1.203900      0.8994000    
 C   -6.251900      0.7554000     -0.6793000    
 C   -6.437500      -1.107400      0.8478000    
 C   -9.158900      0.7857000      0.9144000    
 C   -9.196400     -0.7440000     -0.9554000    
 C   -10.54940      0.8825000      0.8631000    
 C   -10.58700     -0.6469000      -1.006700    
 C   -11.26350      0.1664000     -9.7400002E-02
 H    9.828100      0.1862000      -2.124600    
 H    10.32260      -1.281600      -1.271600    
 H    11.33970      0.1564000      -1.199900    
 H    9.759400      6.0600001E-02   2.229000    
 H    11.29940      8.3200000E-02   1.352300    
 H    10.28230      -1.355800       1.308900    
 H    9.309000       2.299400      0.9980000    
 H    9.337900       2.350800     -0.7819000    
 H    10.82620       2.094300      0.1257000    
 H    7.271300       1.908700      6.1500002E-02
 H    8.585900      -2.241100     -3.3199999E-02
 H    6.228500      -3.001200     -9.2699997E-02
 H    1.866500      -1.887900     -0.1356000    
 H    2.215200       2.428000     -7.1000000E-03
 H  -0.5183000      -1.708200     -0.1946000    
 H  -0.2202000       2.615100     -4.1299999E-02
 H   -2.383100       1.560900     -0.4287000    
 H   -2.428700      -1.371300      0.5755000    
 H   -4.300800       1.354500      -1.246500    
 H   -4.598600      -1.974700       1.523000    
 H   -6.706300       1.520600      -1.304500    
 H   -7.037300      -1.803600       1.429400    
 H   -8.617700       1.350900       1.669700    
 H   -8.684800      -1.382500      -1.671900    
 H   -11.07620       1.515700       1.571000    
 H   -11.14330      -1.204500      -1.754600    
 H   -12.34610      0.2419000     -0.1374000    


%chk=000085966-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085966

0 1
O 4.341056 -1.362248 0.071450
N 4.667097 0.937398 -0.036493
C 9.799120 0.440091 0.021932
C 8.333792 -0.061174 0.036022
C 10.536235 -0.148197 -1.219331
C 10.521419 -0.029993 1.320874
C 9.892024 1.985844 -0.048785
C 7.233005 0.826855 -0.014549
C 8.086568 -1.472145 0.102932
C 5.927830 0.290951 0.002519
C 5.730747 -1.115155 0.068899
C 6.788471 -2.029010 0.120501
C 3.762709 -0.039174 0.004168
C 2.311174 0.055169 -0.008648
C 1.488135 -1.106421 0.040737
C 1.695070 1.335946 -0.070696
C -0.544404 0.290039 -0.031315
C 0.090846 -0.988440 0.029258
C 0.296670 1.443711 -0.081342
C -1.999434 0.476343 -0.042343
C -4.411002 -0.322004 -0.008004
C -7.289129 -0.080017 -0.009448
C -2.955290 -0.508731 -0.000817
C -8.772368 0.051098 -0.006936
C -5.047412 0.954325 -0.063488
C -5.255825 -1.469262 0.044361
C -6.446440 1.068812 -0.063627
C -6.657109 -1.353243 0.043599
C -9.407048 1.175880 0.591817
C -9.598536 -0.943926 -0.601467
C -10.812173 1.301398 0.596133
C -11.003829 -0.820160 -0.597037
C -11.619563 0.303684 0.001805
H 10.046324 0.173340 -2.156520
H 10.547574 -1.252839 -1.205322
H 11.586077 0.200364 -1.238950
H 10.024935 0.382765 2.218042
H 11.572938 0.313967 1.316643
H 10.526671 -1.130841 1.413142
H 9.408393 2.465974 0.821945
H 9.426515 2.383309 -0.969547
H 10.954298 2.291447 -0.051719
H 7.367027 1.909198 -0.065704
H 8.938162 -2.159805 0.143288
H 6.626009 -3.108627 0.171584
H 1.960129 -2.092531 0.088325
H 2.332425 2.224869 -0.108954
H -0.515907 -1.899145 0.068754
H -0.166736 2.436697 -0.128956
H -2.327048 1.524760 -0.087498
H -2.628027 -1.557473 0.044071
H -4.442750 1.866072 -0.117481
H -4.797866 -2.464925 0.097619
H -6.900340 2.063361 -0.138961
H -7.269730 -2.258520 0.117919
H -8.797752 1.941285 1.085771
H -9.136381 -1.803911 -1.099206
H -11.277767 2.172081 1.071486
H -11.618263 -1.594799 -1.069527
H -12.710815 0.400481 0.004972


