%chk=000130914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130914

0 1
 O   -4.019800      -1.132800      -2.938500    
 O   -3.525700      -2.826100       1.402500    
 O   -6.218000     -0.8605000      -2.490300    
 N   -3.310700      -1.443200     -0.4470000    
 N    2.819500      -2.890800      0.7771000    
 N    4.249600     -0.5150000      0.2802000    
 N   -4.105300       2.914300       1.609200    
 N   -5.799600       3.377800      0.1801000    
 N    3.975200      0.4682000      -2.291900    
 N   -4.807900       4.009400       1.931700    
 N   -5.821400       4.322300       1.112300    
 N    4.581200       2.581400      -1.564700    
 N    5.111500       2.987800      0.7385000    
 N    5.015300       1.209200       2.290600    
 N    5.195000       4.724200     -0.8301000    
 C   -4.714800      -1.166800     -0.6164000    
 C   -5.131600      8.4100001E-02  0.1651000    
 C   -4.394800       1.345700     -0.3057000    
 C    1.418800      -2.734000      0.7246000    
 C    3.617900      -2.762200     -0.4258000    
 C   -1.351800      -2.426000      0.6200000    
 C   -2.827300      -2.262400      0.5640000    
 C   -5.069800      -1.019800      -2.089500    
 C   0.6574000      -2.872700       1.885100    
 C   0.7950000      -2.441200     -0.4882000    
 C   -4.764000       2.552900      0.5051000    
 C  -0.7279000      -2.718800       1.832700    
 C  -0.5903000      -2.287200     -0.5405000    
 C    3.879500      -1.313700     -0.7327000    
 C    3.477400      -3.196500       2.031800    
 C    3.744000     -0.8271000      -2.003900    
 C    4.480400      0.7799000     -9.4999997E-03
 C    4.345900       1.289900      -1.302600    
 C    4.866000       1.684200      0.9615000    
 C    4.951400       3.365500     -0.5349000    
 H   -5.276500      -2.032400     -0.2448000    
 H   -6.213800      0.2396000      6.5700002E-02
 H   -4.936600     -7.3399998E-02   1.234000    
 H   -3.309100       1.205500     -0.2439000    
 H   -4.628400       1.554300      -1.356300    
 H   -2.669600     -0.9560000      -1.064000    
 H    4.597600      -3.237900     -0.2838000    
 H    3.181900      -3.303200      -1.274300    
 H    1.095300      -3.100000       2.851900    
 H    1.323500      -2.333200      -1.427500    
 H   -1.303900      -2.826400       2.748100    
 H   -1.039400      -2.092600      -1.509900    
 H    4.564500      -3.265700       1.911300    
 H    3.143100      -4.161300       2.429000    
 H    3.299300      -2.411100       2.774900    
 H    3.448800      -1.446400      -2.842100    
 H   -4.296700      -1.055600      -3.876400    
 H   -4.585500       4.568900       2.748000    
 H    5.288800       1.884900       2.993100    
 H    4.464500      0.4096000       2.578100    
 H    5.475300       5.351500     -8.9000002E-02
 H    5.086300       5.053900      -1.779300    


%chk=000130914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130914

0 1
O -4.599518 -1.479298 -2.763536
O -3.459916 -2.121159 1.853837
O -6.787201 -1.474977 -1.980655
N -3.492245 -1.545180 -0.387461
N 2.859445 -2.979213 0.587079
N 4.414317 -0.490551 0.281744
N -4.211558 3.410213 0.776879
N -6.445009 2.977881 0.442836
N 4.339393 0.673160 -2.347160
N -5.028001 4.390087 1.278395
N -6.386634 4.164068 1.096900
N 5.092981 2.740967 -1.446664
N 5.511358 2.951728 0.987047
N 5.175315 1.120977 2.429317
N 5.830482 4.732599 -0.482541
C -4.943083 -1.334578 -0.351298
C -5.353116 0.021428 0.308056
C -4.770741 1.253102 -0.429091
C 1.488747 -2.700901 0.605241
C 3.674115 -2.690330 -0.599391
C -1.348052 -2.185847 0.649631
C -2.820956 -1.953457 0.759925
C -5.565402 -1.446952 -1.737158
C 0.698879 -2.978813 1.767668
C 0.816798 -2.138075 -0.528021
C -5.128845 2.535150 0.256495
C -0.679630 -2.725834 1.779298
C -0.565664 -1.892527 -0.499384
C 4.031315 -1.217104 -0.797499
C 3.535962 -3.415800 1.816830
C 4.000597 -0.608907 -2.097100
C 4.753394 0.816420 0.057986
C 4.735532 1.431542 -1.249878
C 5.159645 1.662489 1.177272
C 5.461751 3.421582 -0.322692
H -5.394199 -2.126598 0.279385
H -6.455591 0.082198 0.334539
H -4.985586 -0.011200 1.348212
H -3.670776 1.178850 -0.479073
H -5.156218 1.284905 -1.466696
H -3.033204 -1.515102 -1.297997
H 4.612105 -3.270548 -0.511361
H 3.168251 -3.064079 -1.510961
H 1.164729 -3.399368 2.662625
H 1.373787 -1.866233 -1.428388
H -1.280183 -2.940288 2.669702
H -1.014576 -1.438068 -1.391360
H 4.612793 -3.527702 1.618234
H 3.146973 -4.390489 2.172886
H 3.418081 -2.675449 2.633171
H 3.683021 -1.200206 -2.966163
H -5.054263 -1.543176 -3.646144
H -4.668455 5.217891 1.752254
H 5.442618 1.693935 3.226379
H 4.887750 0.148089 2.535497
H 6.107464 5.275528 0.330817
H 5.810722 5.136222 -1.415763


