%chk=000253586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253586

0 1
O 2.687324 0.070334 2.574051
O -6.035186 0.999530 -0.491651
O -4.396916 1.985862 -1.499911
N -0.226173 0.414060 0.769725
N -4.847118 1.212355 -0.669462
C 0.815762 -0.529496 1.226069
C 1.174148 -1.662320 0.282455
C 2.090313 0.301545 1.550544
C -1.591543 0.044402 0.843943
C 2.506974 1.351388 0.576809
C 0.510364 -1.869927 -0.932010
C 2.200513 -2.540777 0.671467
C -2.514740 0.742210 0.034567
C -2.064705 -0.916490 1.768647
C 0.874504 -2.942913 -1.753936
C 2.560766 -3.607537 -0.152432
C 2.716108 2.657173 1.043559
C 2.713070 1.042590 -0.774725
C -3.876856 0.472684 0.184199
C 1.898842 -3.810771 -1.369125
C -3.429914 -1.159590 1.890080
C -4.356476 -0.468308 1.099841
C 3.112327 3.657345 0.151278
C 3.118779 2.044750 -1.659451
C 3.313546 3.351791 -1.198619
H 0.473736 -0.991443 2.202621
H 0.039526 0.936442 -0.072255
H -0.299648 -1.215545 -1.249478
H 2.719522 -2.389239 1.620910
H -2.185941 1.491734 -0.690368
H -1.357723 -1.463779 2.394379
H 0.351583 -3.100905 -2.696952
H 3.358385 -4.284277 0.153667
H 2.571743 2.887145 2.100882
H 2.572742 0.021699 -1.134914
H 2.180217 -4.644439 -2.010662
H -3.785922 -1.899171 2.610330
H -5.429262 -0.654774 1.192266
H 3.269537 4.674024 0.510458
H 3.286473 1.806911 -2.709299
H 3.626221 4.132226 -1.892496


%chk=000253586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253586

0 1
O 2.431081 0.448456 2.651085
O -6.320124 1.206585 -0.036726
O -4.661948 2.645962 -0.646123
N -0.355704 0.327101 0.520793
N -5.074256 1.525638 -0.149881
C 0.732366 -0.424560 1.158705
C 1.219499 -1.665370 0.374369
C 1.925843 0.517084 1.494249
C -1.705169 -0.018127 0.637930
C 2.450086 1.482327 0.474058
C 0.682057 -2.001638 -0.890266
C 2.211967 -2.498166 0.951562
C -2.700246 0.901287 0.202941
C -2.123433 -1.275739 1.172363
C 1.132853 -3.153688 -1.573679
C 2.666293 -3.645457 0.265467
C 3.234382 2.574616 0.940024
C 2.222758 1.334775 -0.923293
C -4.056383 0.547547 0.315376
C 2.128429 -3.977560 -1.000496
C -3.494725 -1.587747 1.277748
C -4.490679 -0.685539 0.851464
C 3.765225 3.510048 0.031986
C 2.765791 2.269264 -1.831028
C 3.530678 3.360319 -1.357225
H 0.392326 -0.772620 2.156099
H -0.136186 1.255008 0.156015
H -0.097267 -1.367744 -1.327724
H 2.629844 -2.244193 1.933365
H -2.438477 1.879485 -0.212563
H -1.380397 -2.013920 1.487042
H 0.703124 -3.409602 -2.548661
H 3.437081 -4.279446 0.717576
H 3.412243 2.663810 2.016748
H 1.665322 0.473610 -1.303192
H 2.478621 -4.869763 -1.531115
H -3.787651 -2.557861 1.692518
H -5.557089 -0.908881 0.919163
H 4.360695 4.352568 0.399305
H 2.599565 2.142618 -2.906080
H 3.946510 4.086012 -2.064899


