%chk=000299346.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299346

0 1
O 5.450552 0.293182 -1.105232
O 3.198566 2.043407 -1.283346
O -2.795993 -0.053854 -2.260593
O -3.247318 1.029432 2.540276
O -4.360392 1.217816 -0.179993
N 0.460569 -2.563811 1.720537
C 2.916767 -1.770533 0.439193
C 2.835728 -3.153361 1.020759
C 1.763895 -0.966181 0.382316
C 0.513207 -1.511399 0.968224
C 1.689765 -3.304493 2.039119
C -0.769621 -0.803375 0.673010
C 4.127656 -1.294919 -0.079787
C 1.824981 0.317252 -0.185343
C 4.194340 -0.018338 -0.651812
C 3.025010 0.794136 -0.704285
C -1.477807 -0.191069 1.704191
C -1.245550 -0.773300 -0.647489
C -2.441651 -0.106270 -0.923155
C -2.680359 0.491296 1.417748
C -3.163352 0.560943 0.094375
C 5.655786 1.586706 -1.729945
C 2.013494 2.855409 -1.466962
C -4.147499 -0.497602 -2.565410
C -4.554516 1.651280 2.430418
C -4.163940 2.459485 -0.917780
H 2.692940 -3.874092 0.184945
H 3.794110 -3.439117 1.498108
H 1.400644 -4.377647 2.128686
H 2.026480 -2.985125 3.054033
H 5.032038 -1.901462 -0.049545
H 0.924128 0.930524 -0.213005
H -1.132615 -0.245022 2.737144
H -0.707025 -1.270900 -1.452095
H 5.429340 2.387320 -1.017284
H 5.033656 1.672150 -2.627013
H 6.722882 1.549995 -1.975526
H 1.583875 3.124101 -0.497412
H 1.289562 2.339014 -2.104711
H 2.425826 3.737351 -1.972565
H -4.198366 -1.581532 -2.426561
H -4.246610 -0.224210 -3.620939
H -4.885256 0.017218 -1.938835
H -4.462060 2.603533 1.902438
H -4.822905 1.790909 3.483938
H -5.256819 0.986168 1.915141
H -3.587696 3.163862 -0.313720
H -5.191346 2.803838 -1.069891
H -3.663004 2.254287 -1.870367


%chk=000299346-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299346

0 1
O 5.428153 -0.166281 -1.737880
O 3.340416 1.806701 -1.883666
O -2.685081 0.700043 -2.220166
O -3.731768 0.775883 2.622120
O -4.513692 1.388189 -0.089777
N 0.514322 -1.995312 2.103111
C 2.845929 -1.769178 0.370880
C 2.639586 -3.026702 1.197560
C 1.773020 -0.831092 0.320050
C 0.530936 -1.142598 1.093301
C 1.794375 -2.674616 2.442915
C -0.769306 -0.474642 0.757676
C 4.041252 -1.485420 -0.314586
C 1.943490 0.377386 -0.404770
C 4.214895 -0.289728 -1.048885
C 3.139930 0.653859 -1.099885
C -1.685298 -0.183233 1.797774
C -1.136793 -0.192641 -0.584073
C -2.385240 0.394051 -0.869195
C -2.929412 0.420678 1.521926
C -3.282465 0.742658 0.179061
C 6.139823 1.129360 -1.719617
C 2.220311 2.746236 -1.999125
C -3.863633 -0.009522 -2.770497
C -5.127515 0.284721 2.616251
C -4.363935 2.786002 -0.564487
H 2.094841 -3.788002 0.600443
H 3.605759 -3.473458 1.493797
H 1.544870 -3.582495 3.019235
H 2.376288 -2.006410 3.115679
H 4.883624 -2.184760 -0.291714
H 1.126772 1.103056 -0.418469
H -1.427835 -0.431789 2.830379
H -0.485154 -0.455920 -1.421963
H 6.344826 1.439746 -0.677008
H 5.558787 1.909808 -2.234329
H 7.087044 0.931624 -2.244105
H 1.960042 3.186555 -1.017206
H 1.328894 2.254937 -2.434048
H 2.578412 3.535470 -2.676525
H -3.679569 -1.100638 -2.777990
H -3.971504 0.359116 -3.802089
H -4.769796 0.216401 -2.180732
H -5.671993 0.655666 1.732094
H -5.572636 0.680311 3.541971
H -5.140399 -0.822171 2.637880
H -3.880183 3.400446 0.217011
H -5.387978 3.145951 -0.747822
H -3.771313 2.814754 -1.496505


