%chk=000267722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267722

0 1
O -1.679855 1.857574 0.589678
O 3.548626 -1.709962 -0.104205
O 3.225249 1.126956 -0.255420
N -3.008593 2.227547 0.633517
C -2.273158 -2.335599 -0.551341
C -1.159223 -2.450971 0.500500
C -3.391576 -1.374824 -0.125967
C -0.046444 -1.464238 0.279744
C -0.280679 -0.079033 0.205028
C -2.905732 -0.006653 0.170836
C -1.618404 0.469904 0.301844
C 1.269226 -1.943508 0.166097
C 0.800086 0.814947 0.027373
C 2.342452 -1.065594 -0.011295
C 2.099020 0.338852 -0.078264
C -3.757999 1.150918 0.392303
C 4.745612 -0.908103 -0.279965
C 3.030750 2.562622 -0.277078
H -1.843881 -2.007132 -1.519811
H -2.707691 -3.336491 -0.739626
H -0.764066 -3.487697 0.501425
H -1.576265 -2.300314 1.520623
H -3.916654 -1.777899 0.768493
H -4.160580 -1.330315 -0.928429
H 1.478903 -3.012652 0.214887
H 0.587384 1.884367 -0.023372
H -4.838138 1.160275 0.368203
H 5.525586 -1.676643 -0.319663
H 4.876993 -0.238184 0.576388
H 4.683452 -0.342090 -1.215734
H 2.608763 2.906045 0.672247
H 2.406134 2.849423 -1.128293
H 4.059302 2.922872 -0.404323


%chk=000267722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267722

0 1
O -1.682714 1.901252 0.492781
O 3.608185 -1.724009 -0.137948
O 3.247386 1.207264 -0.228912
N -3.083521 2.328484 0.548365
C -2.365990 -2.378693 -0.535416
C -1.162419 -2.500974 0.442056
C -3.444717 -1.383987 -0.054415
C -0.052692 -1.478979 0.235899
C -0.290907 -0.072434 0.180291
C -2.942157 0.018795 0.194539
C -1.632115 0.502210 0.278509
C 1.277504 -1.929043 0.116114
C 0.813187 0.812979 0.030292
C 2.383704 -1.060617 -0.037449
C 2.137589 0.350074 -0.076708
C -3.770884 1.179634 0.369988
C 4.896374 -1.014275 -0.240639
C 2.982839 2.648069 -0.264041
H -1.999207 -2.089502 -1.538379
H -2.842674 -3.371714 -0.642043
H -0.721709 -3.509933 0.347520
H -1.549000 -2.428577 1.480296
H -3.902652 -1.777878 0.876822
H -4.263234 -1.343882 -0.800557
H 1.500057 -3.000674 0.149912
H 0.604889 1.884775 -0.003300
H -4.861207 1.224993 0.364381
H 5.641998 -1.824092 -0.270865
H 5.065582 -0.365638 0.634442
H 4.946320 -0.407563 -1.159202
H 2.510374 2.993562 0.675506
H 2.338891 2.918083 -1.123130
H 3.971520 3.116688 -0.378305


