%chk=000221328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221328

0 1
S -2.314961 -2.567671 0.481228
O -3.322676 -3.407949 -0.129038
O -1.945337 -2.766063 1.853676
O -4.759539 3.409449 -1.096268
O -3.055704 4.031949 0.084060
N 5.714266 1.165997 0.435091
N -0.949305 -2.823931 -0.560500
N 0.117584 -2.028442 -0.252192
N -3.770682 3.183552 -0.420581
C -2.725737 -0.896298 0.221251
C 4.551863 0.419285 0.098211
C 2.383707 -1.296056 -0.501420
C 4.406580 -0.140714 -1.195725
C 3.583761 0.104669 1.082134
C -3.858774 -0.584994 -0.536669
C -1.932324 0.111940 0.772189
C 3.343115 -0.988352 -1.482310
C 2.521546 -0.741843 0.782396
C -3.405821 1.755011 -0.193962
C -4.209559 0.750823 -0.749822
C -2.269989 1.454928 0.565966
C 6.434340 1.829814 -0.686118
C 5.623166 2.049111 1.629971
C 1.270034 -2.197635 -0.841577
H 5.135758 0.076403 -1.973224
H 3.669368 0.508572 2.088543
H -4.477636 -1.386091 -0.964308
H -1.039877 -0.137870 1.361399
H 3.252137 -1.411225 -2.483042
H 1.787253 -0.982025 1.554352
H -5.093865 1.016121 -1.339811
H -1.658544 2.260477 0.987690
H -0.859759 -3.652167 -1.165832
H 6.713329 1.077284 -1.445090
H 7.374699 2.266837 -0.311228
H 5.851277 2.624343 -1.177704
H 6.617000 2.472621 1.850622
H 5.329660 1.450863 2.511151
H 4.907657 2.878320 1.514609
H 1.499588 -2.965645 -1.594017


%chk=000221328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221328

0 1
S -2.209724 -2.586341 0.007863
O -3.318551 -3.594491 -0.641749
O -1.478412 -2.899431 1.439016
O -5.799331 3.208847 -0.236788
O -4.329873 3.738984 1.424483
N 5.979966 1.266588 0.347075
N -0.877151 -2.132766 -1.526884
N 0.157382 -1.378557 -1.020799
N -4.809649 2.929008 0.541821
C -3.008039 -0.883676 0.168234
C 4.866533 0.529399 -0.040420
C 2.556292 -0.995266 -0.834475
C 5.006626 -0.747123 -0.683670
C 3.533214 1.023137 0.184779
C -4.083397 -0.576329 -0.681621
C -2.498857 -0.005967 1.139187
C 3.878437 -1.479601 -1.069633
C 2.416775 0.281051 -0.204112
C -4.178651 1.587106 0.412373
C -4.686451 0.691587 -0.555009
C -3.101259 1.262321 1.265966
C 7.334511 0.750431 0.092784
C 5.814785 2.570305 1.010869
C 1.413694 -1.793718 -1.219510
H 5.999178 -1.161438 -0.877650
H 3.381667 1.995158 0.661378
H -4.443229 -1.314775 -1.404497
H -1.671054 -0.318434 1.782513
H 4.014979 -2.452664 -1.558216
H 1.406392 0.667898 -0.037303
H -5.527887 0.994279 -1.183051
H -2.756402 1.993744 2.000916
H -0.600691 -3.107088 -1.845415
H 7.506629 -0.215163 0.608248
H 8.077228 1.471547 0.466436
H 7.517248 0.601316 -0.989789
H 6.805217 2.984978 1.252484
H 5.244680 2.476901 1.955834
H 5.289505 3.297297 0.360477
H 1.615270 -2.755655 -1.738041


