%chk=000269341.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269341

0 1
S -5.424567 0.226657 2.360466
S 5.429392 -0.145052 2.359010
O -3.426894 1.010259 -1.735277
O 3.424073 -1.081814 -1.698242
N -3.481103 0.146242 0.420549
N 3.481591 -0.133654 0.421676
N -5.850117 0.180168 -0.216795
N 5.849255 -0.185067 -0.219264
C -1.368451 0.229387 -0.762190
C 1.367085 -0.262678 -0.754128
C -0.472693 1.305422 -0.788982
C 0.902823 1.057894 -0.781077
C -0.904244 -1.091370 -0.746662
C 0.471275 -1.339008 -0.746529
C -2.845125 0.512060 -0.809334
C 2.843635 -0.547175 -0.791940
C -4.858420 0.181747 0.649627
C 4.859465 -0.159088 0.648935
C -7.114999 0.225342 0.434749
C 7.115635 -0.206031 0.430587
C -7.070280 0.238660 1.801107
C 7.073900 -0.173008 1.796713
C -8.320446 0.241994 -0.425256
C 8.319229 -0.250368 -0.431028
H -0.846213 2.331230 -0.828800
H 1.608072 1.890806 -0.813450
H -1.609526 -1.924864 -0.752209
H 0.844847 -2.365571 -0.753450
H -2.898976 -0.171272 1.202470
H 2.900831 0.213071 1.192088
H -7.893580 0.253518 2.491648
H 7.898733 -0.162876 2.485511
H -8.300821 1.105688 -1.113050
H -8.361300 -0.654848 -1.066941
H -9.251751 0.289624 0.152776
H 8.306454 -1.145096 -1.078074
H 8.349830 0.616169 -1.113653
H 9.252282 -0.262194 0.146019


%chk=000269341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269341

0 1
S -6.036146 -0.983508 1.952773
S 6.037996 1.065347 1.896379
O -3.252828 1.788415 -0.455511
O 3.250374 -1.800050 -0.412130
N -3.716029 -0.313058 0.503651
N 3.716775 0.329460 0.482091
N -5.887240 0.269982 -0.417716
N 5.887237 -0.291765 -0.416546
C -1.393796 0.287838 -0.020903
C 1.393078 -0.286609 -0.016819
C -0.443802 1.339654 -0.059514
C 0.935009 1.057897 -0.054374
C -0.935769 -1.057207 -0.021474
C 0.443010 -1.339060 -0.022595
C -2.851863 0.673877 -0.032378
C 2.851054 -0.673173 -0.021395
C -5.113688 -0.260301 0.502583
C 5.114341 0.277311 0.480743
C -7.255254 0.170008 -0.097972
C 7.255588 -0.176504 -0.103193
C -7.534007 -0.477915 1.095857
C 7.535232 0.522643 1.061107
C -8.266459 0.737472 -1.057266
C 8.266168 -0.784877 -1.037734
H -0.813237 2.368661 -0.112328
H 1.643900 1.891186 -0.129213
H -1.644825 -1.892207 -0.070707
H 0.812335 -2.369169 -0.047154
H -3.283076 -1.086090 1.012485
H 3.284739 1.117834 0.967634
H -8.505634 -0.702208 1.530107
H 8.507135 0.766075 1.484261
H -8.099384 1.821144 -1.191342
H -8.164702 0.265485 -2.050830
H -9.295494 0.580850 -0.694728
H 8.101478 -1.873960 -1.121733
H 8.161148 -0.359127 -2.051619
H 9.295539 -0.609447 -0.684897


