%chk=000213803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213803

0 1
O 1.851784 -0.831022 -2.293924
O 0.688961 2.425431 0.522730
O -0.968164 -2.194244 1.946972
O -2.258806 1.830788 -1.390157
O 2.914685 2.884570 0.864108
N 3.972007 -0.960767 -0.078631
N 0.964391 -1.252234 -0.069083
N -4.364498 0.346008 -0.237688
N 1.421992 2.668559 2.637727
C 2.947869 0.116139 -0.249114
C 1.675539 -0.268976 -1.012348
C 3.014808 -0.715477 1.040345
C 1.844736 -1.706522 1.050590
C 0.588121 0.828448 -1.330401
C -0.331349 -0.800963 0.138623
C -0.641692 0.283917 -0.644239
C 0.887825 2.266786 -0.919931
C -1.342873 -1.422173 1.083862
C -1.969380 0.827872 -0.764991
C 2.633115 -2.039557 -2.442754
C -2.714052 -0.984850 0.867958
C -3.053457 0.026999 -0.011662
C -3.743219 -1.715063 1.672448
C 1.792714 2.697010 1.298158
C -4.817847 1.454407 -1.098006
H 3.253513 1.168612 -0.318142
H 3.333437 -0.316373 2.002690
H 4.919801 -0.606316 0.075886
H 2.185235 -2.744088 0.829492
H 1.303233 -1.731359 2.020855
H 0.437628 0.818102 -2.448852
H 0.108676 2.951755 -1.321957
H 1.898441 2.605421 -1.208733
H 2.377920 -2.774128 -1.675202
H 3.696978 -1.786439 -2.404885
H 2.331955 -2.381372 -3.439229
H -4.351726 -1.033588 2.279643
H -3.264508 -2.416716 2.379719
H -4.404040 -2.318421 1.036906
H -5.093103 -0.167195 0.248503
H -4.437780 2.430798 -0.735925
H -5.916962 1.485973 -1.128273
H -4.435841 1.342895 -2.132714
H 0.442692 2.621322 2.884730
H 2.033439 3.106533 3.312892


%chk=000213803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213803

0 1
O 1.849621 -0.848325 -2.301038
O 0.862849 2.318865 0.754425
O -0.951975 -2.439388 1.698862
O -2.290763 1.837453 -1.551212
O 3.041516 3.238585 0.867438
N 4.009740 -0.956671 -0.159218
N 1.021920 -1.078638 0.021212
N -4.370426 0.310306 -0.313900
N 1.744511 2.827264 2.778362
C 3.012365 0.191894 -0.301636
C 1.700367 -0.192458 -0.997412
C 3.116000 -0.568392 1.008293
C 1.898552 -1.494340 1.149564
C 0.638071 0.928036 -1.301593
C -0.322530 -0.783393 0.057960
C -0.638299 0.296303 -0.758311
C 0.882846 2.337261 -0.734509
C -1.331562 -1.502782 0.898144
C -1.980626 0.775758 -0.890071
C 2.257379 -2.269113 -2.323717
C -2.711261 -1.079354 0.736843
C -3.046861 -0.028525 -0.141388
C -3.772835 -1.821716 1.523133
C 1.983406 2.838884 1.421182
C -4.963400 1.355742 -1.166926
H 3.394165 1.211200 -0.396312
H 3.553921 -0.111111 1.900200
H 4.968706 -0.575473 -0.043260
H 2.190684 -2.554590 1.057512
H 1.366156 -1.361293 2.104540
H 0.608914 1.034705 -2.401502
H 0.047234 2.988152 -1.039712
H 1.842947 2.765750 -1.072065
H 1.531680 -2.889018 -1.763556
H 3.266083 -2.399321 -1.901921
H 2.231009 -2.542610 -3.390790
H -4.355432 -1.150949 2.188167
H -3.279829 -2.576510 2.156850
H -4.489225 -2.356524 0.865022
H -5.032203 -0.252158 0.224362
H -4.687245 2.367314 -0.825245
H -6.060429 1.237484 -1.127622
H -4.620038 1.267863 -2.210272
H 0.842425 2.522961 3.137358
H 2.454071 3.201376 3.401752


