%chk=000195796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195796

0 1
O 4.381589 0.531394 0.175402
O -3.807904 1.612226 -1.240463
O -0.285065 -0.966100 0.186817
O -0.651182 -1.728211 -1.892094
O 4.530245 -2.890391 -0.132518
O 2.556447 -1.842692 -0.021181
N -1.876488 1.437883 -0.044686
C -0.491535 3.367985 0.696503
C -1.461904 2.827465 -0.367100
C 0.824836 2.644277 0.646733
C 1.093686 1.602153 1.542655
C 1.772149 2.975580 -0.341889
C -3.382583 -0.496743 -0.190886
C -3.053158 0.924736 -0.568083
C 2.272020 0.854448 1.438402
C 2.952663 2.251096 -0.463148
C 3.173705 1.182629 0.425318
C -2.498412 -1.576966 -0.302064
C -4.693259 -0.723996 0.259631
C -2.916937 -2.871398 0.044679
C -5.107080 -2.010078 0.611378
C -4.217829 -3.084886 0.504937
C -1.101489 -1.445726 -0.811450
C 4.618643 -0.733263 0.801073
C 3.746378 -1.812405 0.179657
H -0.950212 3.294454 1.704679
H -0.344251 4.455844 0.529847
H -2.372700 3.470746 -0.432085
H -0.988288 2.848036 -1.376374
H -1.211563 0.858791 0.475821
H 0.376800 1.352818 2.326247
H 1.573472 3.798535 -1.029324
H 2.454618 0.033700 2.125051
H 3.691788 2.481505 -1.228329
H -5.391014 0.116728 0.317335
H -2.226343 -3.711061 -0.050136
H -6.125879 -2.176474 0.962211
H -4.540526 -4.090402 0.775232
H 4.465666 -0.688033 1.896879
H 5.698462 -0.898297 0.576970
H 0.695098 -0.951158 -0.072907
H 4.018035 -3.639550 -0.551039


%chk=000195796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195796

0 1
O 4.464103 0.552898 0.235452
O -3.518040 1.655796 0.715302
O -0.088384 -0.829784 -1.030804
O 0.056803 -2.653315 0.366506
O 2.540128 -2.428550 0.825086
O 2.435857 -1.024550 -1.009660
N -1.620642 1.399072 -0.582767
C -0.541665 3.345742 0.661705
C -1.350887 2.846526 -0.577285
C 0.846635 2.733829 0.718945
C 1.142824 1.671393 1.605637
C 1.853713 3.135342 -0.201369
C -3.016493 -0.608015 0.018532
C -2.708039 0.893807 0.084924
C 2.365667 0.965398 1.525172
C 3.071438 2.436028 -0.307654
C 3.297921 1.315921 0.521762
C -2.137244 -1.742579 -0.054194
C -4.407067 -0.867773 0.170648
C -2.678797 -3.058128 0.059354
C -4.933599 -2.171522 0.224744
C -4.060654 -3.281244 0.176646
C -0.650144 -1.751481 -0.207518
C 4.367957 -0.880714 0.513908
C 3.035621 -1.465969 0.025112
H -1.122860 3.107288 1.569977
H -0.485209 4.449630 0.587143
H -2.323820 3.368746 -0.591747
H -0.801304 3.090357 -1.504532
H -0.960285 0.746295 -1.026699
H 0.399702 1.372477 2.354456
H 1.664270 3.981822 -0.873440
H 2.560719 0.139334 2.217830
H 3.822218 2.699094 -1.058668
H -5.060563 0.002634 0.279018
H -1.981624 -3.901015 0.051107
H -6.014337 -2.318429 0.323604
H -4.447663 -4.303316 0.240272
H 4.471122 -1.108019 1.590655
H 5.212038 -1.337635 -0.029974
H 0.970896 -0.929713 -1.109343
H 1.530384 -2.662480 0.589857


