%chk=000217793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217793

0 1
O 3.963595 -2.677504 0.487325
O -0.880643 -3.022295 0.687943
O -2.696090 1.259316 -2.073410
N -2.410800 2.278847 -0.043688
N 2.650391 -0.885749 -0.215343
N -1.658245 -1.351658 -0.687864
C 0.672867 -2.093324 -0.932534
C 1.274010 -0.674579 -0.750423
C 1.708353 -3.070771 -0.356947
C 0.289173 2.932958 0.886971
C -0.515725 1.779464 1.498846
C -0.129669 3.190331 -0.566421
C -2.027211 2.042472 1.375864
C -1.649547 3.389015 -0.688500
C 2.924350 -2.255331 0.036250
C -0.671293 -2.235980 -0.211877
C -2.845968 1.221029 -0.858577
C 3.536454 0.218395 -0.014115
C -3.555293 0.092204 -0.176994
C -2.950152 -1.181178 -0.088911
C 4.716243 0.047634 0.739475
C 3.231249 1.478068 -0.566574
C -4.837543 0.284978 0.349694
C -3.608331 -2.231482 0.572381
C -5.501061 -0.766172 0.985523
C -4.880260 -2.015722 1.102716
C 5.568443 1.131864 0.936893
C 4.100228 2.551467 -0.353436
C 5.265840 2.388106 0.397439
H 0.522274 -2.307428 -2.019320
H 1.308949 -0.131455 -1.719080
H 0.683016 -0.049537 -0.029185
H 1.315649 -3.616170 0.536183
H 1.990211 -3.861964 -1.077158
H 0.146562 3.851865 1.488263
H 1.373168 2.706528 0.936410
H -0.246538 0.823901 0.993477
H -0.245325 1.643491 2.563075
H 0.391620 4.083157 -0.960848
H 0.185779 2.346546 -1.209691
H -2.310757 2.948224 1.958575
H -2.609225 1.196235 1.800553
H -1.947064 3.457470 -1.761682
H -1.962541 4.336174 -0.197092
H -1.470535 -0.757898 -1.507255
H 4.970027 -0.931315 1.159959
H 2.341178 1.630574 -1.169968
H -5.313244 1.263714 0.262510
H -3.119694 -3.205108 0.676285
H -6.499682 -0.613758 1.390998
H -5.395515 -2.832545 1.610853
H 6.480934 0.996612 1.518765
H 3.863456 3.524091 -0.784165
H 5.937234 3.227594 0.558832


%chk=000217793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217793

0 1
O 3.990773 -2.602376 -2.533434
O 0.219558 -2.370933 1.255330
O -1.969758 1.160286 -1.527920
N -3.561511 2.462956 -0.449868
N 3.767115 -1.403877 -0.480298
N -0.994452 -0.770572 0.021562
C 1.385872 -1.083561 -0.469267
C 2.659854 -0.972279 0.411049
C 1.766412 -2.170924 -1.510256
C -3.235084 5.230385 0.492477
C -3.474306 4.058059 1.470495
C -2.528278 4.724428 -0.786606
C -4.246393 2.895435 0.796090
C -3.322332 3.562626 -1.423021
C 3.294955 -2.097316 -1.610252
C 0.154427 -1.470074 0.361562
C -2.902257 1.257738 -0.637162
C 5.130962 -1.203780 -0.107758
C -3.293965 0.055491 0.177185
C -2.307616 -0.932148 0.527511
C 6.197301 -1.488372 -1.008098
C 5.435707 -0.704854 1.190096
C -4.647162 -0.177546 0.536859
C -2.681751 -2.042494 1.332546
C -5.022633 -1.305518 1.291888
C -4.026577 -2.218453 1.711712
C 7.530345 -1.266217 -0.606784
C 6.775612 -0.486852 1.573737
C 7.833735 -0.762754 0.679545
H 1.216711 -0.125786 -0.994543
H 2.827090 0.061462 0.759887
H 2.572594 -1.643140 1.287075
H 1.491691 -3.180238 -1.148588
H 1.307685 -2.024031 -2.500181
H -4.208970 5.687127 0.218743
H -2.636142 6.021479 0.980642
H -2.501903 3.674742 1.837487
H -4.049717 4.394682 2.354052
H -2.426243 5.540020 -1.527192
H -1.507847 4.372026 -0.541900
H -5.274472 3.227648 0.542780
H -4.321504 2.046537 1.490150
H -2.783083 3.136334 -2.282485
H -4.313037 3.929635 -1.761934
H -0.957244 -0.073785 -0.752114
H 5.969348 -1.887928 -1.997624
H 4.638245 -0.500483 1.910408
H -5.415297 0.522964 0.192046
H -1.910525 -2.754159 1.632369
H -6.073910 -1.470998 1.548061
H -4.300243 -3.088940 2.317987
H 8.339122 -1.490578 -1.311458
H 6.989254 -0.104761 2.578390
H 8.873148 -0.592934 0.980021


