%chk=000001072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001072

0 1
 O    1.577100       1.703900      0.6395000    
 O    3.772300     -0.2458000      -1.560500    
 O    5.718000       1.243000     -0.2447000    
 O    5.514500      9.8399997E-02   2.299200    
 O   -4.659100       1.631900       1.067100    
 O   -1.599200       4.669700     -0.5236000    
 N  -0.3946000      0.1687000     -0.6768000    
 N   -2.929300     -0.3520000      0.4768000    
 N   -1.005600       2.473900     -0.6013000    
 N   -3.123500       3.186600      0.2663000    
 C    1.968700      0.5944000     -0.1702000    
 C   0.9205000      0.4004000      -1.272200    
 C    3.381300      0.8488000     -0.7328000    
 C    4.443000       1.038500      0.3673000    
 C  -0.7744000      -1.162800     -0.3984000    
 C   -1.259400       1.216900     -0.3852000    
 C   -2.040800      -1.396200      0.1756000    
 C   4.3900002E-02  -2.277100     -0.6628000    
 C   -2.589400      0.8705000      0.2258000    
 C    4.540000     -0.1709000       1.296200    
 C  -0.3785000      -3.576300     -0.3690000    
 C   -2.455500      -2.704900      0.4666000    
 C   -1.628600      -3.790700      0.1958000    
 C   -3.585200       1.928500      0.5726000    
 C   0.5334000      -4.720400     -0.6716000    
 C   -2.103900      -5.168000      0.5210000    
 C   -1.885700       3.491200     -0.3009000    
 H    1.972000     -0.3016000      0.4584000    
 H   0.8753000       1.322100      -1.868600    
 H    1.203100     -0.3658000      -2.000700    
 H    3.373300       1.745100      -1.365400    
 H    4.223700       1.941200      0.9490000    
 H    1.036900      -2.160600      -1.085800    
 H    3.602200     -0.3935000       1.809400    
 H    4.873700      -1.063100      0.7577000    
 H   -3.436900      -2.863500      0.9096000    
 H   0.7995000       1.429300       1.153900    
 H    4.664300     -5.3399999E-02  -1.896700    
 H    6.369100       1.353800      0.4693000    
 H    1.477300      -4.384600      -1.114800    
 H   0.7840000      -5.265800      0.2441000    
 H   6.7699999E-02  -5.405400      -1.387500    
 H   -3.108300      -5.158300      0.9586000    
 H   -2.152500      -5.783200     -0.3834000    
 H   -1.439500      -5.643500       1.249800    
 H   -3.739400       3.968400      0.4709000    
 H    5.211700      0.8744000       2.800900    


%chk=000001072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001072

0 1
O 1.947455 2.268681 0.178374
O 3.372736 -0.969249 -0.844933
O 5.680875 0.251710 -0.378633
O 5.700133 0.864926 2.284091
O -4.802435 1.711706 0.934543
O -1.220130 4.639199 0.384257
N -0.445706 0.108410 -0.546777
N -3.071450 -0.511955 0.335697
N -0.779182 2.377887 -0.044189
N -2.979094 3.130957 0.612227
C 1.953682 0.851029 -0.139137
C 0.850295 0.488566 -1.168502
C 3.329440 0.497139 -0.724948
C 4.507179 0.983828 0.145062
C -0.816998 -1.240433 -0.401526
C -1.280327 1.132690 -0.094279
C -2.165213 -1.518938 0.031519
C 0.071108 -2.317958 -0.649408
C -2.642484 0.750531 0.282908
C 4.371719 0.679668 1.648296
C -0.363342 -3.651096 -0.509304
C -2.586166 -2.873731 0.154706
C -1.721850 -3.941988 -0.114065
C -3.589729 1.860631 0.638726
C 0.612684 -4.781090 -0.760994
C -2.196836 -5.374417 0.024667
C -1.617488 3.447576 0.315665
H 1.797002 0.226045 0.769131
H 0.665958 1.373282 -1.803564
H 1.180660 -0.347273 -1.800614
H 3.440582 0.958590 -1.729417
H 4.637129 2.073330 -0.001540
H 1.118805 -2.129916 -0.905705
H 3.604727 1.325705 2.111968
H 4.131377 -0.382934 1.816561
H -3.618770 -3.040947 0.475911
H 0.973447 2.571882 0.135051
H 4.346233 -1.184672 -0.909112
H 6.358077 0.263117 0.353046
H 1.611166 -4.401268 -1.030115
H 0.719750 -5.424921 0.132677
H 0.263062 -5.437786 -1.580634
H -3.252969 -5.414935 0.336775
H -2.103738 -5.927213 -0.929504
H -1.600645 -5.929985 0.773319
H -3.576073 3.930150 0.852364
H 5.842542 1.827668 2.467858


