%chk=000221073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221073

0 1
O -2.885591 4.703796 -1.352580
O -3.095458 2.599889 -1.798600
N 5.557020 -0.959388 -0.418937
N -3.693706 -3.749939 -0.451363
N -2.591964 3.529240 -1.187699
C 0.171016 0.147829 1.330357
C 1.570068 -0.150698 0.827667
C -0.839602 -0.863925 0.828636
C -0.236546 1.576725 1.013591
C 2.361234 -1.081694 1.518692
C -1.956716 -1.167853 1.622588
C 2.097401 0.462984 -0.316617
C -0.701429 -1.503539 -0.410847
C -1.216707 1.875984 0.060336
C 0.394647 2.628419 1.703245
C 4.188732 -0.761294 -0.060221
C -2.784307 -2.720046 -0.062528
C 3.648340 -1.388293 1.087351
C -2.918378 -2.076081 1.190374
C 3.384403 0.167232 -0.759878
C -1.654994 -2.415059 -0.856946
C -1.554192 3.215737 -0.180178
C 0.048624 3.959073 1.453494
C -0.932626 4.266420 0.509090
C 6.171372 -2.244244 0.019066
C 5.921469 -0.638861 -1.827497
C -5.054070 -3.687482 0.153554
C -3.764358 -4.047725 -1.909651
H 0.194763 0.063094 2.455943
H 1.963171 -1.581820 2.402196
H -2.082914 -0.683862 2.591090
H 1.496737 1.182799 -0.874578
H 0.164459 -1.288899 -1.040044
H -1.725618 1.078990 -0.498041
H 1.171706 2.401743 2.436701
H 4.237679 -2.108369 1.650754
H -3.768753 -2.292870 1.832845
H 3.765441 0.670877 -1.645371
H -1.512363 -2.897527 -1.821322
H 0.547342 4.762211 1.996866
H -1.217433 5.302436 0.302865
H 6.093839 -2.334290 1.117059
H 7.246340 -2.238055 -0.224578
H 5.713910 -3.135174 -0.438365
H 7.012183 -0.735252 -1.954491
H 5.667777 0.414260 -2.042738
H 5.424732 -1.278711 -2.573160
H -4.969569 -3.714018 1.254217
H -5.628634 -4.579849 -0.143707
H -5.626994 -2.791487 -0.132505
H -2.762479 -4.333396 -2.275854
H -4.133038 -3.206816 -2.517928
H -4.423761 -4.915123 -2.075353


%chk=000221073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221073

0 1
O -2.837378 4.945222 -1.346510
O -3.106906 2.739930 -1.854199
N 5.494094 -1.205943 -0.602092
N -3.918393 -3.579550 -0.571195
N -2.552967 3.694202 -1.182848
C 0.148908 0.160307 1.275743
C 1.572715 -0.145012 0.781409
C -0.892553 -0.854423 0.778843
C -0.249841 1.622222 0.999122
C 2.354373 -1.119949 1.450702
C -2.027136 -1.152562 1.574847
C 2.139715 0.465657 -0.363895
C -0.794661 -1.498162 -0.478770
C -1.224528 1.974050 0.040201
C 0.389789 2.662061 1.728027
C 4.213714 -0.860106 -0.151488
C -2.930593 -2.690783 -0.129536
C 3.640940 -1.475786 1.008049
C -3.025610 -2.046006 1.145343
C 3.426106 0.124894 -0.826676
C -1.782469 -2.393886 -0.930793
C -1.530425 3.337582 -0.166682
C 0.066461 4.019290 1.512625
C -0.904829 4.376396 0.554165
C 6.268209 -2.232694 0.103166
C 6.047351 -0.564163 -1.799404
C -5.091384 -3.848241 0.267401
C -3.805240 -4.201104 -1.894991
H 0.176358 0.061545 2.382205
H 1.942000 -1.621494 2.335847
H -2.135931 -0.671885 2.556389
H 1.572087 1.231012 -0.906544
H 0.079278 -1.309748 -1.112614
H -1.751729 1.208778 -0.535573
H 1.155559 2.396071 2.466668
H 4.200070 -2.232792 1.565506
H -3.878607 -2.241550 1.801326
H 3.815835 0.630348 -1.714899
H -1.656447 -2.864934 -1.909807
H 0.570554 4.800474 2.091122
H -1.182083 5.415523 0.360198
H 6.470135 -1.948255 1.156556
H 7.238542 -2.370328 -0.399766
H 5.747295 -3.212677 0.110475
H 7.056279 -0.960511 -1.995521
H 6.132948 0.535220 -1.676242
H 5.425566 -0.756329 -2.698574
H -4.807532 -4.292748 1.243694
H -5.754477 -4.561726 -0.247105
H -5.675724 -2.926820 0.471063
H -2.890706 -4.823335 -1.982034
H -3.779604 -3.444803 -2.706743
H -4.674925 -4.854382 -2.069190


