%chk=000195296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195296

0 1
O 4.658722 -0.034867 -0.254931
N -1.240074 -1.335992 1.530375
N 2.548750 0.240426 -1.017077
C -0.884501 -0.223650 0.577948
C -1.663561 -0.263610 -0.781017
C -1.126568 0.884850 -1.674046
C -1.257316 1.117580 1.291721
C 0.622940 -0.200703 0.350510
C 0.351972 0.628742 -2.047327
C 1.162193 0.206977 -0.853638
C -1.248189 2.205074 -0.961710
C -1.282228 2.308105 0.375077
C -1.563144 -1.574416 -1.509024
C 1.506880 -0.507080 1.439252
C -0.732467 -2.687295 1.145360
C -2.706250 -1.432602 1.804031
C -1.367626 3.632806 1.066920
C 2.859524 -0.468662 1.292660
C 3.478255 -0.101656 0.038298
C -2.610953 -2.194566 -2.048402
H -2.738656 -0.043432 -0.559341
H -1.728270 0.916367 -2.615414
H -0.545154 1.286057 2.125916
H -2.251545 1.024739 1.784004
H 0.774255 1.549053 -2.504029
H 0.408139 -0.152973 -2.834592
H -1.282455 3.076484 -1.608214
H -0.554332 -1.986957 -1.580389
H 1.058916 -0.775952 2.404022
H 2.950695 0.537266 -1.909782
H 0.271359 -2.633148 0.698817
H -1.380356 -3.237823 0.445882
H -0.646441 -3.282778 2.070586
H -2.853978 -2.114376 2.657906
H -3.306279 -1.803242 0.958890
H -3.098457 -0.445528 2.105018
H -1.575913 4.459663 0.375570
H -0.419393 3.869218 1.572344
H -2.155082 3.646420 1.831775
H 3.544591 -0.701264 2.106271
H -2.532922 -3.129563 -2.583842
H -3.623681 -1.822491 -2.003278


%chk=000195296-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195296

0 1
O 4.731778 0.117641 -0.210006
N -1.267611 -1.375677 1.499763
N 2.531297 0.262573 -0.995629
C -0.932963 -0.242476 0.567061
C -1.702824 -0.264056 -0.811373
C -1.125018 0.886502 -1.701114
C -1.306504 1.102266 1.281393
C 0.590086 -0.207973 0.334817
C 0.338482 0.550557 -2.106879
C 1.149763 0.175903 -0.882524
C -1.180781 2.217999 -0.972139
C -1.242313 2.328944 0.382608
C -1.653578 -1.584906 -1.553255
C 1.491584 -0.442833 1.436509
C -0.691475 -2.711405 1.210212
C -2.690482 -1.526832 1.871184
C -1.272779 3.668347 1.090427
C 2.867663 -0.350303 1.306730
C 3.488272 0.006614 0.037218
C -2.720311 -2.162784 -2.159678
H -2.764022 -0.018939 -0.606234
H -1.729276 0.943916 -2.627952
H -0.631203 1.231194 2.149602
H -2.329783 1.046423 1.702823
H 0.796962 1.429066 -2.602265
H 0.351143 -0.275791 -2.846471
H -1.135287 3.125108 -1.591262
H -0.670122 -2.073696 -1.627124
H 1.044363 -0.715111 2.399962
H 2.944575 0.553321 -1.888533
H 0.351279 -2.624396 0.868150
H -1.261510 -3.285635 0.445822
H -0.691135 -3.305396 2.145058
H -2.760264 -2.272464 2.684850
H -3.332037 -1.888358 1.032363
H -3.118267 -0.587120 2.255398
H -1.302396 4.510193 0.377221
H -0.380596 3.795457 1.735024
H -2.156046 3.750167 1.754823
H 3.543880 -0.534482 2.145569
H -2.628841 -3.100245 -2.719594
H -3.722302 -1.716113 -2.109455


