%chk=000216563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216563

0 1
O -0.157192 1.567821 -0.235592
O -0.535560 -0.072688 1.955909
O 2.109418 1.018272 -1.774850
O 3.126813 -2.609593 0.854285
O 1.525962 2.242577 1.127671
N 1.199851 -1.438126 1.362110
N 2.613846 -0.811798 -0.503992
C 0.338568 0.223481 -0.300717
C -0.605166 -0.546843 -1.282918
C 0.269352 -0.388864 1.116763
C 1.757440 0.241356 -0.920191
C -1.954701 -0.865120 -0.674599
C -0.788928 0.242558 -2.580104
C 2.375426 -1.694042 0.596451
C -2.404520 -2.193786 -0.662807
C -2.774349 0.149581 -0.159571
C 1.053060 -2.213142 2.628206
C 3.949060 -0.926679 -1.159261
C 0.520065 2.526336 0.533630
C -3.664326 -2.501235 -0.140922
C -4.031559 -0.162478 0.363093
C -0.263078 3.801335 0.429567
C -4.479606 -1.487543 0.371615
C 0.666758 4.970977 0.137100
H -0.079392 -1.511614 -1.522808
H -1.451162 -0.288323 -3.274098
H 0.165625 0.424563 -3.092703
H -1.233821 1.229396 -2.386978
H -1.779128 -2.991276 -1.059717
H -2.413642 1.179942 -0.151915
H 1.566748 -1.701302 3.460191
H 1.487319 -3.222291 2.509340
H -0.017580 -2.307459 2.885249
H 4.279360 -1.981345 -1.167352
H 4.699418 -0.325198 -0.617536
H 3.890675 -0.556955 -2.198860
H -4.009776 -3.533612 -0.133147
H -4.661265 0.627478 0.768909
H -1.050068 3.716770 -0.353727
H -0.806329 3.956423 1.390207
H -5.459180 -1.729263 0.779519
H 1.152743 4.870159 -0.843186
H 0.116945 5.920322 0.136109
H 1.466178 5.051528 0.888528


%chk=000216563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216563

0 1
O -0.171016 1.675743 -0.466320
O -0.505300 0.211754 1.882237
O 2.139858 1.030556 -1.940912
O 3.006158 -2.643108 0.798702
O 1.624344 2.283208 0.885870
N 1.141065 -1.317954 1.282849
N 2.545959 -0.838925 -0.621071
C 0.335416 0.300089 -0.430105
C -0.628899 -0.575374 -1.345245
C 0.294394 -0.220973 1.020577
C 1.752085 0.246619 -1.039285
C -1.955546 -0.921855 -0.666108
C -0.841494 0.094536 -2.726042
C 2.267020 -1.669747 0.498053
C -2.242302 -2.271349 -0.341779
C -2.926891 0.070729 -0.377774
C 0.936624 -2.040830 2.562944
C 3.825552 -1.056186 -1.341861
C 0.584499 2.611374 0.277063
C -3.474406 -2.629014 0.251948
C -4.155886 -0.282914 0.218277
C -0.055240 3.979951 0.209828
C -4.436382 -1.633351 0.533554
C 0.801620 5.070766 0.876390
H -0.080399 -1.525889 -1.502999
H -1.406533 -0.596156 -3.376135
H 0.115881 0.343928 -3.213029
H -1.421188 1.025576 -2.624598
H -1.499551 -3.049672 -0.561088
H -2.710111 1.119675 -0.602855
H 1.312207 -1.437935 3.406833
H 1.486884 -2.990275 2.511010
H -0.141244 -2.212956 2.703681
H 4.242987 -2.016761 -1.010874
H 4.529340 -0.238269 -1.114902
H 3.635565 -1.063363 -2.426397
H -3.682006 -3.678170 0.490771
H -4.894697 0.494640 0.442822
H -0.254586 4.211988 -0.853271
H -1.048267 3.902267 0.694953
H -5.392530 -1.905021 0.994687
H 1.778207 5.170721 0.372806
H 0.283021 6.044077 0.829018
H 0.996090 4.828150 1.934678


