%chk=000190435.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190435

0 1
O -0.027298 0.645696 -0.443412
O 3.056076 -2.022156 0.718058
O 0.181551 2.444080 0.902045
O -2.233101 0.770905 -1.534435
N 2.094263 1.219187 0.371799
N -1.551541 -1.022436 -0.252645
C 2.680490 0.075389 -0.370908
C 4.203074 0.287250 -0.283899
C 4.454830 1.341226 0.811345
C 3.121615 2.065018 1.055178
C 2.221082 -1.250813 0.292363
C 0.764354 1.533582 0.377211
C 0.785163 -1.540059 0.290981
C -0.193126 -0.671621 -0.102094
C 0.428143 -2.936627 0.704027
C -4.662844 -0.151215 0.504682
C -3.951978 -0.734626 -0.742063
C -2.546330 -0.204228 -0.902677
C -4.694046 1.376895 0.453171
C -4.018880 -0.645535 1.802919
H 2.327165 0.079658 -1.435218
H 4.603591 0.622218 -1.256064
H 4.716476 -0.667024 -0.037395
H 4.807444 0.850884 1.738774
H 5.246325 2.048197 0.509675
H 2.876468 2.152597 2.135017
H 3.110883 3.088350 0.621551
H 0.028631 -3.522461 -0.133237
H -0.288438 -2.951418 1.534033
H 1.324984 -3.476827 1.063426
H -5.718719 -0.527629 0.472631
H -3.988694 -1.839227 -0.714942
H -4.525381 -0.442847 -1.651334
H -1.834894 -1.922878 0.147926
H -5.177308 1.744821 -0.459152
H -3.684680 1.813703 0.468320
H -5.236568 1.796403 1.307165
H -3.959296 -1.736471 1.845113
H -3.007295 -0.242809 1.938223
H -4.600189 -0.318750 2.674641


%chk=000190435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190435

0 1
O 0.305928 0.910948 -0.799851
O 2.886092 -1.913979 1.205425
O 0.928337 3.054263 -0.032632
O -2.429170 1.626777 -0.243218
N 2.492223 1.307933 -0.022931
N -1.452986 -0.518278 -0.334448
C 2.852759 -0.080745 -0.427305
C 4.393724 -0.086841 -0.335757
C 4.710108 0.970804 0.755167
C 3.646387 2.070392 0.530623
C 2.175773 -1.094821 0.537021
C 1.274746 1.877088 -0.212707
C 0.709137 -1.105736 0.607884
C -0.094811 -0.234131 -0.123946
C 0.070213 -2.198136 1.449754
C -4.836170 -0.524166 0.301227
C -3.850294 -0.270597 -0.889083
C -2.538569 0.399315 -0.472816
C -5.332035 0.796359 0.934352
C -4.230996 -1.466209 1.369267
H 2.486693 -0.270376 -1.454694
H 4.829602 0.209797 -1.306540
H 4.758903 -1.088453 -0.060808
H 4.588686 0.519654 1.755186
H 5.734505 1.369903 0.676213
H 3.346942 2.596958 1.452344
H 3.974670 2.827861 -0.206757
H -0.232577 -3.078074 0.844872
H -0.817018 -1.830379 1.995206
H 0.815480 -2.561659 2.175900
H -5.711495 -1.038367 -0.147725
H -3.653043 -1.228081 -1.409842
H -4.339035 0.410207 -1.609099
H -1.703153 -1.510010 -0.318165
H -5.826489 1.438856 0.183346
H -4.495343 1.375799 1.362128
H -6.058781 0.586595 1.740888
H -3.877831 -2.418872 0.926874
H -3.381493 -0.986131 1.891002
H -4.987615 -1.717066 2.134442


