%chk=000115768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115768

0 1
 O    4.035600      -1.849400       1.149800    
 N   -2.088100     -4.3200001E-02  2.2800000E-02
 C   1.0700000E-02  0.9060000      0.4555000    
 C  -0.6318000      0.5431000       1.816800    
 C   -1.260100       1.086400     -0.4024000    
 C   -1.986000     -9.1300003E-02   1.482100    
 C   0.7702000       2.243000      0.5239000    
 C   0.9840000     -0.1965000     -1.3000000E-03
 C   -3.461600      5.4900002E-02 -0.4447000    
 C    1.307900       2.637600     -0.8451000    
 C    2.081800     -0.5260000      0.7911000    
 C   0.7637000     -0.8621000      -1.205700    
 C   -4.260500      -1.168500     -2.4999999E-03
 C    2.079300       3.945500     -0.7726000    
 C    2.963000      -1.525200      0.3774000    
 C    1.644700      -1.861100      -1.619300    
 C   -5.696900      -1.100500     -0.4979000    
 C    2.744200      -2.192800     -0.8277000    
 H  -0.8081000       1.448100       2.412500    
 H  -2.7899999E-02 -0.1321000       2.431200    
 H   -1.758700       2.034400     -0.1520000    
 H   -1.090900       1.093600      -1.482800    
 H   -2.022600      -1.125900       1.839200    
 H   -2.777800      0.4782000       1.984800    
 H    1.595200       2.189900       1.245300    
 H   0.1052000       3.036700      0.8902000    
 H   -3.943800      0.9701000     -7.7200003E-02
 H   -3.468900      0.1041000      -1.540700    
 H   0.4927000       2.763900      -1.565300    
 H    1.984900       1.878100      -1.248700    
 H    2.266600     -1.6000001E-02   1.732900    
 H  -6.9700003E-02 -0.6486000      -1.863400    
 H   -3.793100      -2.083100     -0.3876000    
 H   -4.290500      -1.254400       1.089500    
 H    1.440200       4.759800     -0.4162000    
 H    2.936300       3.859500     -9.6699998E-02
 H    2.455600       4.219500      -1.763400    
 H    1.475500      -2.381100      -2.557700    
 H   -6.207600     -0.2172000     -0.1012000    
 H   -5.733300      -1.057000      -1.591100    
 H   -6.251800      -1.987100     -0.1753000    
 H    3.423100      -2.973000      -1.161200    
 H    4.536300      -2.559100      0.7119000    


%chk=000115768-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115768

0 1
O 4.538930 -1.260362 0.502785
N -2.149594 -0.030382 0.031072
C 0.050635 0.870561 0.460681
C -0.615237 0.499120 1.841363
C -1.205485 1.006647 -0.447171
C -1.970494 -0.187352 1.504384
C 0.785474 2.239059 0.565198
C 0.990290 -0.275981 0.015024
C -3.537831 0.123527 -0.436697
C 1.379059 2.770353 -0.759747
C 2.349203 -0.285047 0.417829
C 0.510201 -1.374486 -0.751304
C -4.398192 -1.134579 -0.194971
C 2.093099 4.127062 -0.576950
C 3.202967 -1.349304 0.056403
C 1.372007 -2.432239 -1.110875
C -5.836191 -0.966593 -0.730171
C 2.728041 -2.434707 -0.714761
H -0.791022 1.428067 2.415803
H 0.045433 -0.145537 2.444624
H -1.621400 2.041233 -0.332784
H -0.978476 0.855089 -1.519025
H -1.973621 -1.258857 1.778780
H -2.801535 0.302017 2.066216
H 1.588270 2.185085 1.327631
H 0.057064 2.981629 0.952580
H -4.038835 1.004993 0.049461
H -3.511001 0.334179 -1.524543
H 0.568797 2.878782 -1.508436
H 2.089978 2.028973 -1.171491
H 2.779854 0.526050 1.012120
H -0.550043 -1.403928 -1.022598
H -3.903493 -1.996754 -0.682418
H -4.430671 -1.359110 0.889315
H 1.398467 4.894579 -0.185007
H 2.932525 4.038618 0.138724
H 2.504068 4.499594 -1.533198
H 0.984278 -3.269972 -1.701851
H -6.344574 -0.110673 -0.246789
H -5.836587 -0.784460 -1.821599
H -6.442598 -1.870493 -0.539430
H 3.394813 -3.260643 -0.995810
H 5.060424 -2.042556 0.194836


