%chk=000186142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186142

0 1
S 1.022211 -2.049117 0.276100
P 2.131368 -0.376715 0.859480
O 2.357484 0.386565 -0.585825
O 3.633156 -0.935286 1.154939
O 1.504562 0.388988 1.956449
N -3.071455 0.187906 -0.537721
C -1.758012 -0.075316 0.158029
C -1.713181 -1.573762 0.579618
C -1.670353 0.834380 1.403518
C -1.906388 -2.495792 -0.638178
C -3.250077 -0.684103 -1.747321
C -3.189364 1.627160 -0.954241
C -3.229989 -2.161647 -1.331423
C -1.807762 2.315633 1.039633
C -3.114164 2.545854 0.274092
C -0.459926 -1.943002 1.368592
C 1.386399 1.431168 -0.904298
C 4.406180 -1.447180 0.018347
C 1.838935 1.934269 -2.260772
C 5.841696 -1.300568 0.484874
H -0.889353 0.148949 -0.524885
H -2.587965 -1.738116 1.270237
H -2.469723 0.557508 2.118916
H -0.707410 0.670561 1.935551
H -1.071703 -2.382183 -1.357782
H -1.895710 -3.554991 -0.322475
H -4.237850 -0.439631 -2.195781
H -2.482532 -0.500713 -2.530013
H -4.178430 1.753635 -1.446853
H -2.416469 1.923586 -1.695790
H -4.080724 -2.368036 -0.651390
H -3.377028 -2.804438 -2.218069
H -0.942030 2.648450 0.438469
H -1.788213 2.930078 1.959967
H -3.976803 2.340133 0.939928
H -3.205393 3.600837 -0.039387
H -0.288021 -1.232807 2.208832
H -0.559427 -2.949502 1.820910
H 0.364992 0.976969 -0.943168
H 1.431913 2.217770 -0.125784
H 4.114340 -2.507162 -0.114818
H 4.205050 -0.862985 -0.900546
H 1.191472 2.738075 -2.628000
H 2.868129 2.317504 -2.216929
H 1.838725 1.125042 -3.004044
H 6.539713 -1.810438 -0.187464
H 6.136029 -0.244759 0.554128
H 5.967199 -1.722771 1.493847


%chk=000186142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186142

0 1
S 1.050210 -1.660781 -0.273070
P 2.384911 -0.103747 0.789478
O 2.855474 0.952593 -0.504912
O 3.910430 -0.816322 1.126490
O 1.704197 0.547475 2.071213
N -3.373513 0.041348 -0.408948
C -1.963119 -0.098068 0.077655
C -1.715980 -1.554732 0.572633
C -1.693729 0.934114 1.200789
C -2.109338 -2.604851 -0.495047
C -3.715603 -0.935995 -1.473289
C -3.673466 1.421700 -0.874066
C -3.554421 -2.381574 -0.978323
C -2.011725 2.378130 0.757751
C -3.459627 2.465011 0.235281
C -0.291653 -1.812900 1.099867
C 1.825713 1.867288 -1.079981
C 4.653686 -1.521718 0.036553
C 2.525248 2.651609 -2.185317
C 5.899987 -2.105165 0.694006
H -1.251546 0.102045 -0.770968
H -2.385760 -1.699355 1.450205
H -2.332092 0.671220 2.068867
H -0.641046 0.872780 1.530314
H -1.414976 -2.521055 -1.357824
H -1.985557 -3.624323 -0.079253
H -4.762506 -0.751001 -1.780440
H -3.072308 -0.787395 -2.382693
H -4.724786 1.440200 -1.219588
H -3.031900 1.695366 -1.756126
H -4.262415 -2.558705 -0.145810
H -3.806840 -3.086747 -1.793275
H -1.312123 2.680541 -0.051097
H -1.849996 3.078157 1.598884
H -4.166651 2.262980 1.062994
H -3.681342 3.475658 -0.159154
H 0.009420 -1.114171 1.898686
H -0.200100 -2.848101 1.468439
H 0.986729 1.259313 -1.472927
H 1.450239 2.531016 -0.278388
H 4.002737 -2.312672 -0.385787
H 4.901380 -0.787968 -0.751471
H 1.812744 3.357773 -2.650725
H 3.372303 3.227880 -1.776812
H 2.905742 1.972652 -2.967263
H 6.505226 -2.638543 -0.062508
H 6.516684 -1.304614 1.135601
H 5.625158 -2.816346 1.490854


