%chk=000215960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215960

0 1
S 0.245609 -1.806129 -1.042424
S 0.572367 -0.903260 -2.884914
O -2.403729 3.080948 0.845697
O -1.923478 0.305209 3.175798
O 0.382161 -1.044252 2.097390
O -1.867960 -1.225789 -1.709579
N 1.627197 0.780298 1.499904
N -2.713486 0.242190 -0.184302
C 0.753100 1.742230 2.211815
C -3.504621 -0.827981 0.473725
C -0.144322 2.522059 1.240465
C -2.800580 -1.442694 1.689078
C 2.298332 -1.413980 0.689881
C -1.155769 1.043611 -1.931525
C -1.426452 2.999304 1.918763
C -2.974566 -0.654024 2.985527
C 1.324053 -0.581441 1.466126
C -1.914839 -0.070212 -1.272163
C 1.913970 -2.012373 -0.513739
C 0.004780 0.743290 -2.660559
C 3.588955 -1.624130 1.194469
C -1.605442 2.371369 -1.898663
C 2.809539 -2.811373 -1.227528
C 0.721572 1.739102 -3.328389
C 4.488289 -2.421778 0.481596
C -0.900528 3.373251 -2.573099
C 4.100549 -3.011097 -0.727631
C 0.260007 3.058733 -3.286494
H 0.126082 1.175054 2.952441
H 1.395672 2.433430 2.799796
H -3.702695 -1.633967 -0.278253
H -4.488956 -0.396158 0.758605
H -0.422309 1.876377 0.376070
H 0.399064 3.373438 0.790828
H -1.708063 -1.561599 1.476239
H -3.164624 -2.479854 1.828232
H 2.314789 1.173427 0.863405
H -2.616864 1.131248 0.326669
H -1.322950 3.996628 2.374486
H -1.811160 2.267078 2.665496
H -2.967575 -1.324789 3.865883
H -3.888560 -0.034853 3.003719
H 3.886693 -1.172597 2.140675
H -2.506694 2.637361 -1.336719
H 2.508738 -3.282106 -2.165289
H 1.629099 1.496316 -3.882928
H 5.492137 -2.587803 0.870260
H -1.260523 4.400626 -2.540503
H 4.805114 -3.633083 -1.279499
H 0.807426 3.841246 -3.811509
H -3.247967 3.422671 1.198469
H -1.037282 -0.104771 2.923098


%chk=000215960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215960

0 1
S 0.264017 -2.171045 -0.627950
S 0.155621 -1.530690 -2.845015
O -2.392309 3.106627 1.113326
O -1.954233 -0.003344 2.868457
O 0.527122 -0.912937 2.096168
O -2.781563 -1.154085 -1.865738
N 1.899982 0.947105 1.817689
N -2.942264 0.452272 -0.195183
C 0.949007 1.865811 2.476479
C -3.981215 -0.320948 0.509917
C -0.137486 2.331575 1.475080
C -3.436763 -1.449767 1.425152
C 2.545702 -1.149842 0.754379
C -1.344922 0.816576 -2.033014
C -1.341275 2.980822 2.160360
C -3.025711 -0.999829 2.841308
C 1.581704 -0.380520 1.611796
C -2.399447 -0.048084 -1.362301
C 2.070884 -1.976254 -0.306353
C -0.204670 0.268632 -2.694996
C 3.942341 -1.053522 0.993508
C -1.525001 2.224345 -2.068443
C 3.002844 -2.674784 -1.112226
C 0.715184 1.121921 -3.355830
C 4.862241 -1.758669 0.190663
C -0.623105 3.069775 -2.751738
C 4.388560 -2.564948 -0.871203
C 0.500418 2.517411 -3.404439
H 0.475664 1.317599 3.310317
H 1.515789 2.715141 2.898164
H -4.625908 -0.776701 -0.262630
H -4.591067 0.386304 1.104110
H -0.501626 1.434709 0.944857
H 0.293227 3.014056 0.718502
H -2.593668 -1.949875 0.913345
H -4.234557 -2.213459 1.537756
H 2.673046 1.343505 1.279857
H -2.607058 1.326423 0.240358
H -1.094709 3.986143 2.560324
H -1.704510 2.313242 2.964583
H -2.739747 -1.891241 3.441762
H -3.883509 -0.514120 3.344445
H 4.301893 -0.448715 1.834300
H -2.387988 2.663328 -1.558801
H 2.633535 -3.300836 -1.930278
H 1.599884 0.681404 -3.827391
H 5.935631 -1.689295 0.396010
H -0.799712 4.150696 -2.770333
H 5.094155 -3.118507 -1.500014
H 1.210830 3.160679 -3.935245
H -3.227664 3.430808 1.533589
H -1.084298 -0.410492 2.571454


