%chk=000296589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296589

0 1
O -1.088401 -0.997214 -0.381449
O -0.806842 1.529962 2.092618
O 0.056626 1.490532 -1.531459
O 0.168326 -2.441635 0.955964
O -3.795185 -0.684571 -1.653886
O 3.371308 -0.664071 1.674299
O -0.448003 3.831568 1.952456
O -1.226251 3.149762 -2.523820
O -1.761490 -3.297157 1.978867
O -4.919678 0.816127 -0.268341
O 5.988121 -1.480900 -1.507365
N 1.744985 -0.269931 0.062583
N 3.898107 -0.961508 -0.630995
C 0.055930 1.340484 0.892246
C 0.692048 -0.064595 1.053265
C -0.861089 1.469239 -0.350321
C -1.838448 0.277749 -0.439698
C -0.425172 -1.121156 0.926822
C -2.663502 0.273787 -1.726876
C 3.024869 -0.634279 0.456663
C -0.987091 2.866823 2.527739
C -0.225844 2.433356 -2.545900
C -0.636127 -3.491099 1.485161
C -1.909264 2.906529 3.720582
C 0.857335 2.412167 -3.596695
C -4.892986 -0.276699 -0.881793
C 0.093920 -4.803007 1.343751
C 3.332903 -1.182382 -1.984365
C 5.316143 -1.132106 -0.495093
C -5.993930 -1.309981 -0.921663
C 5.980288 -0.871919 0.842902
H 0.831845 2.124559 0.864893
H 1.159925 -0.136590 2.050330
H -1.416308 2.424682 -0.323250
H -2.513744 0.353736 0.437809
H -1.176075 -1.013968 1.735478
H -2.062763 -0.092124 -2.573209
H -3.050558 1.288285 -1.926977
H 1.470441 -0.200743 -0.917567
H -1.711862 2.061177 4.398420
H -1.788342 3.862505 4.250544
H -2.956971 2.823217 3.377458
H 1.006667 1.387766 -3.979319
H 0.582699 3.082115 -4.423587
H 1.813767 2.747331 -3.157773
H 0.118795 -5.096473 0.278937
H -0.421527 -5.582484 1.922679
H 1.138369 -4.699820 1.681209
H 2.985021 -0.233883 -2.437872
H 4.144124 -1.583440 -2.610083
H 2.502934 -1.908751 -1.944436
H -5.639464 -2.251255 -1.365085
H -6.369838 -1.487849 0.099290
H -6.836774 -0.921190 -1.521243
H 5.659860 -1.611553 1.594572
H 5.705424 0.112158 1.256229
H 7.067247 -0.935684 0.682449


%chk=000296589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296589

0 1
O -1.090799 -0.991952 -0.377755
O -0.805925 1.535313 2.094739
O 0.057910 1.494093 -1.529153
O 0.164637 -2.436862 0.960210
O -3.786910 -0.687024 -1.658587
O 3.370786 -0.665990 1.672554
O -0.439952 3.837492 1.958051
O -1.233449 3.169391 -2.525583
O -1.770101 -3.290828 1.976717
O -4.926744 0.799016 -0.269522
O 5.982084 -1.484836 -1.512943
N 1.742806 -0.267033 0.063077
N 3.893271 -0.963488 -0.633809
C 0.056708 1.345069 0.894342
C 0.691512 -0.060484 1.055212
C -0.859858 1.474339 -0.348366
C -1.838849 0.283992 -0.437235
C -0.427171 -1.115660 0.930284
C -2.662778 0.280545 -1.725105
C 3.022330 -0.634824 0.455227
C -0.982519 2.872134 2.531984
C -0.221559 2.441197 -2.545116
C -0.642943 -3.485839 1.485793
C -1.902993 2.911921 3.726240
C 0.862338 2.411036 -3.596116
C -4.889736 -0.291165 -0.887327
C 0.086291 -4.798417 1.345968
C 3.325813 -1.181851 -1.986687
C 5.311030 -1.137192 -0.499385
C -5.980443 -1.335107 -0.930370
C 5.976251 -0.879974 0.838634
H 0.833242 2.128527 0.866837
H 1.160536 -0.132733 2.051716
H -1.413966 2.430466 -0.321336
H -2.514925 0.361690 0.439530
H -1.177524 -1.006679 1.739222
H -2.058566 -0.075456 -2.573174
H -3.057739 1.293164 -1.919355
H 1.466910 -0.197330 -0.916716
H -1.704311 2.066746 4.403936
H -1.781448 3.868001 4.255867
H -2.951196 2.828132 3.384803
H 1.005997 1.384719 -3.975583
H 0.591811 3.080110 -4.425101
H 1.820280 2.742094 -3.157575
H 0.117713 -5.089426 0.280668
H -0.433770 -5.578541 1.919874
H 1.128693 -4.697297 1.690356
H 2.979583 -0.232169 -2.438966
H 4.135255 -1.584286 -2.613798
H 2.494163 -1.906265 -1.946287
H -5.617232 -2.270899 -1.378280
H -6.353203 -1.521170 0.090283
H -6.827869 -0.952015 -1.527140
H 5.652241 -1.617796 1.590526
H 5.705856 0.105577 1.251513
H 7.062924 -0.948582 0.678300


