%chk=000198678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198678

0 1
O 0.277497 0.735988 0.227770
O -0.300889 -3.812235 -0.962064
O -2.776473 -1.173838 1.797836
N 3.186430 -1.213688 -0.089365
N 2.474761 0.031978 -0.228907
N -0.275534 -2.215642 0.699467
N -3.154162 -2.173157 -0.212901
N -5.711192 1.374890 -0.774591
C 2.176565 -2.225511 0.114318
C 0.958854 -1.626246 0.344811
C 1.083740 -0.162221 0.159314
C 3.195322 1.256324 0.031117
C 4.150715 -1.445318 -1.203199
C 2.503597 -3.659182 0.132259
C 2.587487 2.454493 -0.391527
C 4.457941 1.269772 0.647001
C -0.892913 -3.168944 -0.113349
C -2.392716 -3.374123 0.173365
C 3.264480 3.660130 -0.208554
C 5.120406 2.488526 0.812891
C 4.531950 3.681925 0.384784
C -3.212011 -1.077537 0.660683
C -3.803110 0.157685 0.078146
C -2.980093 1.281920 -0.090919
C -5.164386 0.242114 -0.267414
C -3.540534 2.449996 -0.611652
C -4.906048 2.458460 -0.941355
H 3.668529 -1.639292 -2.175949
H 4.787413 -2.305530 -0.935724
H 4.806379 -0.563491 -1.323849
H 2.342316 -4.087497 1.137307
H 3.529958 -3.899499 -0.168213
H 1.808451 -4.211019 -0.544558
H -0.816264 -1.705571 1.420911
H 1.591315 2.436919 -0.838769
H 4.911001 0.348553 1.010313
H -2.559943 -3.606947 1.254528
H -2.752486 -4.255394 -0.406944
H 2.799114 4.591594 -0.530848
H 6.101029 2.505656 1.287800
H 5.054069 4.626797 0.518826
H -3.400191 -2.087664 -1.195126
H -1.914473 1.239394 0.180699
H -5.843362 -0.609275 -0.133980
H -2.929927 3.339788 -0.754801
H -5.389112 3.353716 -1.352687


%chk=000198678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198678

0 1
O 0.455029 0.877313 0.209232
O -0.273458 -3.808458 -0.999701
O -2.569521 -0.826218 1.623448
N 3.288297 -1.274562 -0.089064
N 2.679686 0.022709 -0.136139
N -0.240941 -2.035575 0.549535
N -3.172144 -2.083728 -0.228987
N -6.054947 0.996136 -1.196634
C 2.249820 -2.208664 0.129840
C 1.048114 -1.532322 0.271602
C 1.269179 -0.090926 0.112959
C 3.470409 1.202435 0.002656
C 4.321952 -1.539196 -1.122138
C 2.538222 -3.678103 0.194678
C 2.970764 2.427723 -0.508992
C 4.727207 1.162470 0.661465
C -0.852183 -3.067675 -0.149359
C -2.354207 -3.235909 0.197391
C 3.737402 3.602658 -0.362814
C 5.490246 2.343345 0.781702
C 5.002028 3.568136 0.270665
C -3.237172 -0.933867 0.537051
C -4.090095 0.184106 0.025431
C -3.712717 1.514971 0.339054
C -5.273000 -0.020765 -0.731749
C -4.512134 2.574710 -0.133461
C -5.662569 2.271680 -0.900995
H 3.891717 -1.509072 -2.142202
H 4.748548 -2.536569 -0.935241
H 5.125717 -0.791544 -1.045974
H 1.797377 -4.166619 0.847542
H 3.547136 -3.873087 0.598576
H 2.438113 -4.157491 -0.795603
H -0.860179 -1.460927 1.156051
H 1.990389 2.448509 -0.990046
H 5.077778 0.224229 1.104039
H -2.475708 -3.353135 1.289249
H -2.711737 -4.142513 -0.313597
H 3.345899 4.548461 -0.753189
H 6.459622 2.307924 1.291314
H 5.594769 4.483564 0.371485
H -3.558397 -2.084225 -1.174607
H -2.807813 1.684862 0.931009
H -5.638524 -1.032047 -0.951931
H -4.252087 3.615998 0.078816
H -6.302387 3.069059 -1.295464


