%chk=000276425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276425

0 1
O -0.026322 0.546123 -1.052143
O 0.993910 2.378612 -1.894696
O -1.102987 0.683516 -3.034714
O 7.264550 0.398178 0.803788
O -7.258037 -1.288281 -0.075266
N 5.705178 -1.311270 0.806442
N -5.669130 -0.664156 1.486689
C 2.307691 0.666704 -0.773768
C -2.353605 0.198598 -1.006377
C 3.523305 1.373903 -0.644014
C -3.577299 -0.194159 -1.591968
C 3.344201 -1.348849 0.146319
C -3.327668 0.016349 1.230004
C 4.571222 -0.629069 0.276363
C -4.562991 -0.381353 0.633023
C 2.240744 -0.683073 -0.375022
C -2.251480 0.296022 0.395575
C 4.641381 0.712851 -0.115192
C -4.667974 -0.482832 -0.758968
C 1.120352 1.320944 -1.338362
C -1.194472 0.524786 -1.847014
C 3.635448 2.800235 -1.050755
C -3.726336 -0.311956 -3.067222
C 3.217919 -2.783631 0.548678
C -3.164606 0.141095 2.711321
C 6.994193 -0.759598 1.036093
C -6.960674 -1.097710 1.083516
C 7.974224 -1.753911 1.593937
C -7.906696 -1.294682 2.235281
H 1.285839 -1.210435 -0.485032
H -1.290964 0.602423 0.826350
H 5.584918 1.265064 -0.011936
H -5.617771 -0.791272 -1.215708
H 3.272713 2.957288 -2.084135
H 3.003271 3.449075 -0.422576
H 4.660402 3.188931 -0.999317
H -3.391327 0.607288 -3.583886
H -4.757102 -0.511509 -3.386587
H -3.092261 -1.117278 -3.472885
H 3.883554 -3.430894 -0.039264
H 3.433278 -2.928783 1.616081
H 2.198867 -3.166644 0.386478
H -3.836079 0.902752 3.131655
H -3.345578 -0.813630 3.223728
H -2.144340 0.448637 2.986915
H 5.564156 -2.298402 1.036066
H -5.504098 -0.533222 2.488019
H 8.152664 -2.598763 0.915315
H 8.951160 -1.263059 1.750946
H 7.663809 -2.155854 2.567374
H -8.089227 -0.368340 2.796278
H -8.887363 -1.632484 1.855583
H -7.561759 -2.060976 2.941893


%chk=000276425-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276425

0 1
O -0.021275 0.378182 -0.818269
O 0.942933 2.337801 -1.671390
O -1.047143 0.478450 -2.924028
O 7.583905 0.432709 0.520045
O -7.588941 -1.027332 -0.195201
N 5.945538 -1.245606 0.720530
N -5.912493 -0.609306 1.403664
C 2.378178 0.630240 -0.649689
C -2.420015 0.088005 -0.928607
C 3.599954 1.381158 -0.657510
C -3.656758 -0.184858 -1.601653
C 3.553176 -1.352229 0.265792
C -3.530597 -0.105754 1.280154
C 4.770135 -0.594915 0.259534
C -4.762507 -0.382193 0.601524
C 2.387480 -0.715329 -0.186162
C -2.390104 0.118005 0.493961
C 4.775863 0.748285 -0.195580
C -4.807204 -0.419405 -0.815539
C 1.110990 1.228681 -1.128467
C -1.178260 0.352125 -1.691075
C 3.694847 2.816785 -1.135880
C -3.792096 -0.232178 -3.110919
C 3.515989 -2.795033 0.740876
C -3.451989 -0.053112 2.796668
C 7.251044 -0.746282 0.831466
C -7.224824 -0.906742 1.009244
C 8.267909 -1.753210 1.366092
C -8.207486 -1.076696 2.166583
H 1.443385 -1.266563 -0.192593
H -1.435357 0.330158 0.982609
H 5.719697 1.296198 -0.185637
H -5.761585 -0.633494 -1.299752
H 3.413707 2.904538 -2.200170
H 2.994050 3.475621 -0.593222
H 4.720984 3.197478 -1.003108
H -3.532070 0.739231 -3.567007
H -4.823468 -0.498541 -3.395290
H -3.095513 -0.961754 -3.560714
H 4.163874 -3.455422 0.129255
H 3.828710 -2.897968 1.799956
H 2.492851 -3.197754 0.668784
H -4.105664 0.734387 3.224002
H -3.731255 -1.018352 3.266059
H -2.424190 0.175616 3.121450
H 5.820610 -2.217212 1.010502
H -5.760937 -0.543780 2.411834
H 9.058391 -1.898737 0.609580
H 8.751019 -1.330253 2.263452
H 7.838372 -2.737139 1.623396
H -9.015497 -0.332232 2.061206
H -8.673398 -2.074431 2.095832
H -7.752160 -0.966540 3.166313


