%chk=000229222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229222

0 1
S 2.563186 -1.731311 0.571178
O -3.486730 0.244493 1.661470
O 3.326037 -2.101922 1.751883
O 2.419352 -2.683030 -0.501354
N 0.991450 -1.435022 1.277862
N 0.068777 -0.954938 0.404115
N 4.362166 3.507548 -1.440330
C 3.081255 -0.220658 -0.017214
C 4.055502 0.507994 0.684993
C 2.544856 0.304716 -1.204155
C -2.147847 -0.257354 -0.191321
C -3.370192 0.289902 0.292367
C 3.958955 2.258567 -0.984894
C 4.504352 1.733367 0.216430
C 2.973296 1.528778 -1.697974
C -1.935588 -0.264323 -1.573428
C -1.177229 -0.801102 0.769003
C -4.332840 0.814554 -0.575713
C -2.894612 0.258463 -2.451650
C -4.081610 0.793583 -1.953243
C -4.720024 0.748023 2.270861
C -4.490635 0.512693 3.750641
H 4.471989 0.097346 1.614866
H 1.778127 -0.259587 -1.750100
H 5.257417 2.287834 0.767557
H 2.548111 1.927030 -2.614063
H 0.736356 -1.768024 2.217452
H -1.009691 -0.688877 -1.969203
H -1.593807 -1.033176 1.762357
H -5.261759 1.233874 -0.206852
H -2.709189 0.240620 -3.522687
H -4.826567 1.199529 -2.637254
H -4.819970 1.817302 2.017468
H -5.569283 0.168404 1.870624
H 5.153919 3.968865 -1.028678
H 4.090804 3.828740 -2.352797
H -5.334553 0.875234 4.348394
H -4.351875 -0.555242 3.969424
H -3.581905 1.024407 4.098668


%chk=000229222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229222

0 1
S 2.496419 -1.445402 0.779088
O -3.901530 0.030416 1.846637
O 3.324498 -1.861530 2.119323
O 2.017298 -2.549856 -0.317072
N 0.971155 -0.515599 1.568080
N 0.000669 -0.232525 0.648653
N 5.370989 2.993064 -2.144605
C 3.361417 -0.070591 -0.113234
C 4.216500 0.773598 0.618838
C 3.152577 0.067275 -1.497433
C -2.302002 0.250560 0.068276
C -3.667114 0.330258 0.495036
C 4.704319 1.976932 -1.471509
C 4.890907 1.797989 -0.065271
C 3.829471 1.093951 -2.176567
C -2.001149 0.545138 -1.289233
C -1.264047 -0.137007 1.025613
C -4.687270 0.689398 -0.418536
C -3.012989 0.901545 -2.200805
C -4.356619 0.972955 -1.762248
C -5.290293 0.085586 2.346091
C -5.242162 -0.279875 3.827064
H 4.360729 0.617143 1.692556
H 2.489532 -0.626224 -2.023958
H 5.566187 2.464795 0.482988
H 3.684636 1.219496 -3.255707
H 0.722313 -1.072063 2.420312
H -0.953364 0.483803 -1.599835
H -1.582348 -0.317747 2.066472
H -5.730804 0.749290 -0.097414
H -2.761906 1.122660 -3.243315
H -5.151409 1.250017 -2.463741
H -5.694124 1.107746 2.195870
H -5.914028 -0.631008 1.773638
H 5.997399 3.623110 -1.651666
H 5.247659 3.126047 -3.144338
H -6.260589 -0.256286 4.255598
H -4.828733 -1.293347 3.965882
H -4.612191 0.433591 4.385171


