%chk=000223191.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223191

0 1
O -2.180145 -2.021760 0.683937
O -0.035511 -3.131503 1.885459
N -3.070765 0.207897 -0.629427
C 3.109786 -0.423922 -0.775304
C 3.268019 1.120131 -0.835505
C 3.215924 1.968067 0.466446
C 1.689638 -0.831668 -0.370025
C 3.326736 -0.978065 -2.208395
C 4.184366 -1.046931 0.129307
C 3.039711 3.446740 0.034997
C 4.532534 1.859562 1.260923
C 2.040780 1.583217 1.376616
C -2.874142 1.343936 0.333183
C -4.307973 0.402093 -1.456904
C -1.860927 0.025565 -1.502235
C -4.080422 1.431776 1.280801
C -5.536385 0.477276 -0.534958
C -5.387684 1.601917 0.497193
C 0.596006 -0.243661 -1.020180
C -0.731083 -0.598768 -0.720189
C 1.457852 -1.816332 0.606556
C -0.956060 -1.566341 0.265074
C 0.148656 -2.172671 0.920568
H 4.232433 1.338519 -1.336188
H 2.490069 1.508994 -1.524195
H 2.633202 -0.535792 -2.929120
H 3.171163 -2.062621 -2.233879
H 4.342975 -0.784373 -2.563306
H 4.136778 -2.141152 0.126515
H 5.188894 -0.765930 -0.205865
H 4.083004 -0.704133 1.168788
H 2.098069 3.600459 -0.498956
H 3.853152 3.775370 -0.617660
H 3.030867 4.112207 0.903746
H 5.403946 2.058794 0.631730
H 4.554815 2.571915 2.091434
H 4.655816 0.857787 1.692182
H 1.964853 2.253507 2.237749
H 1.086654 1.620380 0.840684
H 2.147603 0.564471 1.767314
H -1.948253 1.138773 0.916931
H -2.722373 2.315098 -0.183884
H -4.254465 1.311538 -2.092919
H -4.407151 -0.469479 -2.139951
H -1.530438 0.974535 -1.979393
H -2.124375 -0.669008 -2.336296
H -3.938211 2.272625 1.984424
H -4.132009 0.515172 1.902430
H -5.669019 -0.491888 -0.013524
H -6.446979 0.628551 -1.143317
H -6.249787 1.598307 1.190006
H -5.403906 2.586704 -0.007114
H 0.776856 0.515542 -1.780544
H 2.270811 -2.314129 1.131912
H -2.930297 -1.404137 0.326936
H -1.013006 -3.297058 2.025995


%chk=000223191-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223191

0 1
O -2.324546 -1.892400 0.625637
O -0.224344 -3.061042 1.932945
N -3.159932 0.154471 -0.664863
C 3.117591 -0.426239 -0.764519
C 3.343342 1.132054 -0.773307
C 3.399755 2.003489 0.533295
C 1.663159 -0.809132 -0.382527
C 3.354959 -0.907796 -2.235618
C 4.164194 -1.153258 0.118068
C 3.223250 3.483228 0.078220
C 4.778664 1.900036 1.245668
C 2.272257 1.667438 1.543955
C -2.989598 1.321406 0.261027
C -4.434202 0.250127 -1.440548
C -1.956811 -0.022583 -1.558990
C -4.165890 1.413230 1.251393
C -5.649620 0.325741 -0.494833
C -5.512442 1.503463 0.497269
C 0.566708 -0.222847 -1.071402
C -0.771610 -0.573144 -0.778719
C 1.380665 -1.775915 0.618101
C -1.028423 -1.519948 0.243673
C 0.053854 -2.122348 0.930286
H 4.295688 1.312481 -1.317420
H 2.549865 1.565977 -1.415291
H 2.688871 -0.383408 -2.945055
H 3.156306 -1.991536 -2.324069
H 4.401047 -0.717931 -2.544382
H 4.120522 -2.246627 -0.042869
H 5.181820 -0.815291 -0.149436
H 4.016742 -0.964402 1.195317
H 2.221367 3.645361 -0.363255
H 3.979699 3.760253 -0.681488
H 3.334775 4.173697 0.935833
H 5.603511 2.146187 0.549300
H 4.824385 2.615616 2.089356
H 4.966494 0.893516 1.653296
H 2.308633 2.372326 2.397482
H 1.274828 1.743792 1.073837
H 2.367358 0.643552 1.944210
H -2.032368 1.189612 0.795547
H -2.920605 2.261356 -0.335594
H -4.410800 1.150177 -2.099828
H -4.504445 -0.641278 -2.090824
H -1.694069 0.931162 -2.066822
H -2.256746 -0.745584 -2.344483
H -4.021059 2.294971 1.903377
H -4.158852 0.518443 1.904052
H -5.728153 -0.625770 0.066861
H -6.571029 0.427582 -1.098773
H -6.356873 1.503254 1.211278
H -5.559995 2.462234 -0.059440
H 0.748549 0.517737 -1.860157
H 2.177180 -2.267507 1.181882
H -2.946954 -1.141318 0.172265
H -1.216067 -3.140564 1.991685


