%chk=000246507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246507

0 1
S 4.853064 -0.466697 -0.325965
S 3.150213 3.614682 0.263564
O 3.721558 -1.568347 0.279734
O 1.578584 3.585545 -0.361491
O -5.623106 -1.356086 -0.854809
O 4.107745 0.485054 -1.140428
O 5.880303 -1.243194 -0.953025
O 3.293469 2.413755 1.076802
O 3.310939 4.890105 0.895207
O -5.116153 -3.119157 0.465842
N 0.484562 0.104477 -0.060000
C 1.592145 -0.511162 0.702680
C 0.844396 1.328718 -0.807705
C -0.801422 -0.430250 -0.074919
C 2.368220 -1.509323 -0.181063
C 0.666289 2.576321 0.081789
C -1.848827 0.226432 -0.778450
C -1.087641 -1.641743 0.614181
C -3.125456 -0.314517 -0.787917
C -2.370852 -2.164476 0.594881
C -3.404810 -1.511787 -0.104434
C -4.745657 -2.108306 -0.093598
C 5.392452 0.238558 1.146153
C 4.049640 3.506728 -1.197610
C -7.013330 -1.800214 -0.922635
C -7.744399 -1.395595 0.341375
H 2.279865 0.294299 1.072813
H 1.208007 -1.014342 1.618550
H 1.907747 1.250621 -1.157382
H 0.235188 1.417769 -1.735239
H 2.013698 -2.550951 -0.049743
H 2.328504 -1.246661 -1.255179
H -0.323341 3.054614 -0.058184
H 0.813015 2.356792 1.156350
H -1.658437 1.152365 -1.313759
H -0.307148 -2.164338 1.160302
H -3.932872 0.189268 -1.329604
H -2.595388 -3.096434 1.124983
H 5.358505 -0.451975 2.006558
H 6.423771 0.617970 1.122961
H 4.759456 1.104968 1.471349
H 3.547722 3.974401 -2.062177
H 5.045900 3.969411 -1.158943
H 4.221196 2.448449 -1.525852
H -7.027399 -2.892521 -1.088589
H -7.361498 -1.259293 -1.820810
H -8.821336 -1.579138 0.259946
H -7.375120 -1.965233 1.208128
H -7.597964 -0.332263 0.568461


%chk=000246507-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246507

0 1
S 5.088460 -0.618718 -0.223294
S 3.265078 3.857480 0.199162
O 3.689832 -1.663039 0.510062
O 1.559035 3.657846 -0.597848
O -5.823023 -1.331894 -0.811180
O 4.423525 0.453502 -1.260009
O 6.251956 -1.604906 -0.740712
O 3.482854 2.606676 1.226660
O 3.408365 5.366009 0.745108
O -5.158492 -3.286736 0.287832
N 0.417072 0.108046 -0.076955
C 1.513725 -0.492778 0.701138
C 0.798508 1.310544 -0.836316
C -0.876622 -0.431326 -0.106443
C 2.384398 -1.452986 -0.148379
C 0.736915 2.599087 0.023279
C -1.968595 0.291872 -0.686127
C -1.152833 -1.725484 0.442042
C -3.259930 -0.254923 -0.721526
C -2.448981 -2.257749 0.409810
C -3.524934 -1.537939 -0.173982
C -4.870097 -2.155878 -0.187085
C 5.620380 0.247766 1.380049
C 4.302793 3.620188 -1.372555
C -7.218215 -1.857587 -0.853774
C -7.971924 -1.511196 0.434247
H 2.169149 0.323034 1.061943
H 1.120314 -1.004181 1.594749
H 1.843981 1.186681 -1.178781
H 0.177253 1.410073 -1.741183
H 1.948574 -2.462530 -0.251394
H 2.528337 -1.027807 -1.161693
H -0.278011 3.028621 0.095621
H 1.100084 2.381470 1.047495
H -1.813410 1.295860 -1.092721
H -0.348964 -2.327658 0.876126
H -4.082947 0.312404 -1.165302
H -2.652064 -3.250506 0.825623
H 5.644225 -0.542075 2.142545
H 6.615382 0.668868 1.176754
H 4.856970 1.019959 1.565101
H 3.801746 4.219688 -2.144117
H 5.306003 3.998218 -1.128947
H 4.290006 2.537093 -1.573214
H -7.178963 -2.950039 -1.010183
H -7.657044 -1.361904 -1.735060
H -9.027276 -1.831103 0.347931
H -7.523994 -2.029505 1.298386
H -7.954602 -0.423238 0.620216


