%chk=000244062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244062

0 1
S 5.067143 -0.751502 -0.932370
F -5.970705 -2.296636 0.249778
F -4.899298 2.300162 0.192611
O 2.356182 -3.472339 -0.204843
O 3.331249 0.723764 1.690988
N 1.629929 -1.627200 1.012715
N 2.727587 1.621656 -0.362284
N 0.314911 -1.901906 0.751542
N 1.388555 1.597303 -0.053851
C 5.028128 -2.320113 -0.011280
C 5.949039 0.383450 0.188857
C 3.995137 -2.285492 1.097720
C 5.092012 1.631782 0.310590
C 2.601909 -2.549708 0.537804
C 3.659182 1.249862 0.647045
C -2.015924 -1.392499 0.857288
C -0.912334 1.889035 -0.651973
C -0.602897 -1.040082 1.098642
C 0.517117 1.783674 -1.007274
C -3.015171 -0.695566 1.561480
C -1.873745 1.355477 -1.530448
C -2.376511 -2.404937 -0.052007
C -1.315755 2.544280 0.524393
C -4.363960 -0.996633 1.363814
C -3.233738 1.486102 -1.249329
C -3.719173 -2.719694 -0.266511
C -2.672486 2.689198 0.821412
C -4.683162 -2.004485 0.449511
C -3.601120 2.158337 -0.078312
H 6.033489 -2.565324 0.376603
H 4.779034 -3.108416 -0.763292
H 6.944027 0.615862 -0.236559
H 6.122412 -0.085349 1.176737
H 4.202809 -3.091073 1.840330
H 4.052826 -1.342718 1.688386
H 5.471926 2.281972 1.133860
H 5.171140 2.257096 -0.602473
H 1.923866 -0.738829 1.471424
H 3.051724 1.750335 -1.330156
H -0.428317 -0.058503 1.566884
H 0.736363 1.887732 -2.080982
H -2.740023 0.087143 2.268836
H -1.558989 0.827604 -2.431632
H -1.594864 -2.953581 -0.587381
H -0.563437 2.944138 1.208143
H -5.139961 -0.459968 1.906972
H -3.984970 1.068324 -1.919487
H -4.000655 -3.503972 -0.967212
H -2.992105 3.204238 1.726192


%chk=000244062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244062

0 1
S 5.009892 -1.616043 -0.815395
F -5.568976 -3.120909 -0.299319
F -5.168943 3.850544 0.820498
O 2.873085 -4.340485 1.405814
O 2.970461 0.556533 1.095464
N 1.988181 -2.156068 1.409328
N 2.197583 1.759900 -0.753733
N 0.705307 -2.577300 1.116912
N 0.925914 1.948621 -0.230238
C 5.383090 -2.673274 0.718396
C 5.529266 0.088224 -0.160320
C 4.379912 -2.471655 1.872288
C 4.578454 1.179879 -0.671808
C 3.016786 -3.096015 1.544908
C 3.191664 1.107313 -0.018993
C -1.587683 -2.048093 0.580595
C -1.289658 2.900369 -0.499690
C -0.205034 -1.652386 0.885792
C 0.058292 2.590158 -0.986557
C -2.562364 -1.049082 0.308407
C -2.229249 3.492677 -1.388762
C -1.977054 -3.420012 0.549229
C -1.676993 2.638431 0.847714
C -3.897766 -1.396998 0.012742
C -3.532572 3.812313 -0.957413
C -3.303934 -3.783248 0.256025
C -2.972970 2.953528 1.293788
C -4.236570 -2.759902 -0.005787
C -3.873846 3.532952 0.377525
H 6.414286 -2.442285 1.035959
H 5.347803 -3.714618 0.356374
H 6.561946 0.292422 -0.487187
H 5.493326 0.050463 0.940521
H 4.768152 -3.008262 2.760036
H 4.291758 -1.402191 2.134553
H 5.010273 2.173776 -0.427674
H 4.493082 1.136078 -1.775437
H 2.230244 -1.145105 1.434612
H 2.439928 2.130794 -1.685817
H 0.023035 -0.568093 0.903070
H 0.305584 2.931678 -2.012777
H -2.275985 0.008391 0.325965
H -1.941591 3.700497 -2.426132
H -1.218265 -4.180228 0.758113
H -0.944126 2.200276 1.532277
H -4.658229 -0.639073 -0.196537
H -4.268003 4.264721 -1.628213
H -3.620430 -4.830049 0.228415
H -3.288669 2.762838 2.323369


