%chk=000229199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229199

0 1
S -1.408888 -2.652504 0.433699
O -2.241048 -3.635464 -0.224399
O -1.055724 -2.809973 1.815052
O -4.719595 2.875338 -1.192433
O -3.197572 3.744565 0.077604
N 0.021020 -2.672907 -0.557575
N 0.930149 -1.717854 -0.215218
N -3.739595 2.801622 -0.471797
C -2.072238 -1.066274 0.172340
C -3.207992 -0.928986 -0.632068
C -1.477238 0.047419 0.768620
C -3.156115 1.446966 -0.244621
C -3.761679 0.335903 -0.846473
C -2.019764 1.321484 0.561719
C 3.043415 -0.606197 -0.382050
C 4.856957 1.429417 0.303124
C 3.901844 -0.066652 -1.355622
C 3.098809 -0.122922 0.935029
C 4.798879 0.944786 -1.014886
C 3.999914 0.887307 1.273912
C 2.111169 -1.684302 -0.768547
C 5.810642 2.521010 0.662526
H -3.670393 -1.811858 -1.095024
H -0.582111 -0.064489 1.394968
H -4.651764 0.465124 -1.472462
H -1.565702 2.207985 1.019102
H 0.254085 -3.458321 -1.182078
H 3.865171 -0.432713 -2.380566
H 2.437771 -0.542583 1.694781
H 5.457110 1.360790 -1.775472
H 4.036923 1.254206 2.298182
H 2.494868 -2.390673 -1.517740
H 6.131287 2.468068 1.711815
H 6.721684 2.499795 0.049410
H 5.344918 3.507585 0.516247


%chk=000229199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229199

0 1
S -1.345460 -2.612303 0.322416
O -2.212895 -3.802299 -0.367490
O -0.767093 -2.713084 1.839212
O -5.354752 2.729355 -1.022238
O -4.204308 3.554568 0.766422
N 0.046509 -2.268063 -1.005745
N 0.987972 -1.392499 -0.526143
N -4.471506 2.627145 -0.088600
C -2.294442 -0.990466 0.181912
C -3.259902 -0.880472 -0.832047
C -2.010785 0.016941 1.117604
C -3.706130 1.351430 0.007864
C -3.986768 0.324335 -0.920162
C -2.737816 1.221899 1.027106
C 3.247327 -0.485172 -0.549377
C 5.293054 1.361323 0.235859
C 4.570410 -0.605707 -1.055747
C 2.957120 0.578723 0.353824
C 5.574981 0.303919 -0.666125
C 3.964238 1.479252 0.736025
C 2.234265 -1.457007 -0.962785
C 6.369195 2.340982 0.664139
H -3.445423 -1.714439 -1.515679
H -1.260291 -0.147544 1.896345
H -4.753804 0.479327 -1.682844
H -2.569486 2.049748 1.720176
H 0.356610 -3.217153 -1.327618
H 4.811542 -1.415541 -1.755900
H 1.937071 0.677005 0.738385
H 6.589664 0.194082 -1.066175
H 3.726552 2.292994 1.432236
H 2.551527 -2.234990 -1.685629
H 6.573742 2.259475 1.748712
H 7.317394 2.163324 0.129058
H 6.060887 3.385609 0.472111


