%chk=000200226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200226

0 1
O -1.033608 -1.418385 -1.348990
O 0.481859 -0.015287 1.466780
N 1.028347 0.393567 -0.680096
N 4.732975 0.314914 0.077584
C -1.238164 -0.639528 -0.148984
C 2.370813 0.874142 -0.253587
C 3.414084 -0.262409 -0.334726
C 0.158420 -0.086207 0.284129
C -2.148251 0.517338 -0.530538
C -1.936537 -1.514733 0.883612
C 4.861086 0.337118 1.574843
C 5.879397 -0.415449 -0.557933
C 0.770550 0.352777 -2.135042
C -2.264023 1.617104 0.332303
C -2.849760 -2.473567 0.407969
C -2.887925 0.474854 -1.719380
C -1.749915 -1.369698 2.261863
C 5.921353 1.357720 1.990041
C 5.977077 -0.052937 -2.040826
C -3.113820 2.673841 -0.002562
C -3.541812 -3.292069 1.300288
C -3.735270 1.536459 -2.048924
C -2.446385 -2.192466 3.154921
C -3.848794 2.636060 -1.192653
C -3.338742 -3.154933 2.678884
H 2.680942 1.731682 -0.888667
H 2.302053 1.259075 0.794114
H 3.091234 -1.122799 0.289579
H 3.476573 -0.636991 -1.378750
H 3.878032 0.636063 2.007815
H 5.098842 -0.660834 2.001558
H 6.815749 -0.097392 -0.044938
H 5.809848 -1.517619 -0.435287
H 0.955243 -0.654846 -2.545362
H 1.413757 1.074085 -2.663932
H -0.281966 0.611825 -2.357068
H -1.694774 1.645743 1.263629
H -3.024704 -2.566161 -0.665353
H -2.797041 -0.389324 -2.380555
H -1.048699 -0.621225 2.652212
H -0.655651 -2.296803 -1.118310
H 6.930321 1.044898 1.699569
H 5.737619 2.328748 1.510006
H 5.914129 1.511129 3.073931
H 5.133006 -0.446595 -2.617403
H 5.976281 1.037611 -2.175035
H 6.898841 -0.445696 -2.481244
H -3.204386 3.528003 0.666783
H -4.244712 -4.033203 0.924849
H -4.309833 1.503804 -2.972917
H -2.288195 -2.076136 4.226012
H -4.510218 3.461264 -1.449978
H -3.878544 -3.793632 3.375364


%chk=000200226-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200226

0 1
O -1.046204 -1.695821 -1.351467
O 0.759552 -0.560003 1.351539
N 1.000297 0.392321 -0.740038
N 4.722296 0.181819 0.047358
C -1.187015 -0.778793 -0.191404
C 2.351483 0.849626 -0.330008
C 3.434728 -0.235962 -0.556039
C 0.262732 -0.299926 0.205415
C -2.073914 0.393906 -0.651345
C -1.908033 -1.511006 0.965416
C 4.794495 -0.146432 1.500217
C 5.915690 -0.267605 -0.715798
C 0.593712 0.712536 -2.123585
C -2.019167 1.636059 0.027293
C -2.710009 -2.641403 0.666218
C -2.999858 0.223879 -1.708448
C -1.869310 -1.036906 2.301580
C 5.711879 0.810002 2.285124
C 6.147085 0.550503 -2.000651
C -2.877039 2.693401 -0.345890
C -3.438533 -3.300966 1.681811
C -3.855821 1.283141 -2.083132
C -2.599001 -1.695247 3.314116
C -3.800223 2.521939 -1.403354
C -3.383580 -2.832541 3.012766
H 2.608021 1.756857 -0.904857
H 2.320801 1.109561 0.740803
H 3.064697 -1.197869 -0.130356
H 3.574475 -0.391575 -1.641993
H 3.770598 -0.085107 1.912704
H 5.126725 -1.203765 1.655481
H 6.796915 -0.145567 -0.059788
H 5.857554 -1.357778 -0.965398
H 1.473291 0.605842 -2.784335
H 0.218689 1.750942 -2.198404
H -0.181917 0.018376 -2.470493
H -1.307775 1.782942 0.848821
H -2.782057 -2.992815 -0.368401
H -3.034702 -0.733686 -2.235932
H -1.252142 -0.173401 2.558355
H -0.590286 -2.516099 -1.031173
H 6.754097 0.777396 1.917667
H 5.350886 1.848754 2.187526
H 5.725847 0.538027 3.357274
H 5.299646 0.460247 -2.705204
H 6.268627 1.618983 -1.751233
H 7.055909 0.201022 -2.525677
H -2.824835 3.648999 0.187979
H -4.052047 -4.173573 1.429977
H -4.567534 1.140382 -2.904336
H -2.549479 -1.321156 4.342928
H -4.466608 3.342127 -1.692975
H -3.946939 -3.341688 3.802939


