%chk=000281408.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281408

0 1
S -5.002055 1.321988 0.410283
O -5.638271 2.088957 -0.645153
O -5.557291 1.335431 1.735184
O 5.074572 1.569105 1.046396
O 2.670835 3.469499 -1.928847
N 3.835765 0.297394 -0.441778
N -5.154803 -0.281928 -0.271363
N 1.681045 1.979589 0.183916
N 0.759838 2.732930 0.540365
N -3.779609 -1.239962 1.375379
C -3.321364 1.673018 0.434893
C 3.047290 2.552343 0.267662
C 4.661128 -0.877290 -0.529417
C 4.266255 -1.912368 -1.419620
C -2.708399 2.207766 -0.706647
C -2.573551 1.442703 1.595551
C 4.085907 1.408556 0.353924
C -0.606968 2.269409 0.472169
C -1.347313 2.505877 -0.700853
C -1.207899 1.737284 1.623133
C 5.832541 -1.007809 0.232151
C 5.070282 -3.054006 -1.514561
C 3.383594 3.440813 -0.960532
C 3.028486 -1.811596 -2.251733
C -4.622668 -1.440126 0.306122
C 6.615074 -2.158864 0.115537
C 6.237504 -3.181987 -0.754952
C 4.639931 4.227234 -0.804605
C -4.919523 -2.732811 -0.199537
C -4.338365 -3.829955 0.427055
C -3.234586 -2.336851 1.962560
C -3.484541 -3.643040 1.523098
H 3.191894 3.181305 1.196567
H -3.301362 2.401336 -1.609675
H -3.058693 1.024418 2.489186
H 2.946538 0.260794 -0.958279
H -5.781748 -0.415328 -1.076662
H -0.863372 2.922185 -1.585267
H -0.623764 1.558998 2.524685
H 6.140576 -0.211905 0.919850
H 4.783240 -3.857562 -2.192571
H 2.126074 -1.699987 -1.633191
H 3.076255 -0.962335 -2.949558
H 2.869063 -2.707720 -2.868773
H 7.523295 -2.251837 0.710191
H 6.847824 -4.078398 -0.845155
H 5.067801 4.498988 -1.783335
H 5.423855 3.694738 -0.237152
H 4.455034 5.173791 -0.271904
H -5.586459 -2.860041 -1.045476
H -4.548600 -4.838174 0.066421
H -2.575164 -2.136366 2.816141
H -3.029530 -4.491603 2.023677


%chk=000281408-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281408

0 1
S -4.521381 0.542715 -0.838789
O -4.583924 0.638992 -2.463575
O -5.606472 1.306364 0.088195
O 5.534830 1.555734 1.067951
O 3.216661 4.124836 -1.253907
N 4.106134 0.526702 -0.516200
N -4.572097 -1.310131 -0.621696
N 2.040271 2.014046 0.129687
N 1.041964 2.272485 0.914716
N -4.431344 -1.226473 1.728668
C -2.778202 1.019748 -0.295628
C 3.324749 2.538155 0.634941
C 4.865864 -0.579768 -0.992066
C 4.264268 -1.404655 -1.995017
C -1.798721 1.092415 -1.302750
C -2.561788 1.347854 1.050844
C 4.446012 1.471854 0.426310
C -0.237818 1.819554 0.432214
C -0.503774 1.495804 -0.927357
C -1.265096 1.768678 1.409560
C 6.166905 -0.865744 -0.501810
C 5.001948 -2.509381 -2.477875
C 3.743798 3.830261 -0.157310
C 2.875083 -1.104766 -2.534028
C -4.839655 -1.908661 0.617590
C 6.874666 -1.976064 -1.006993
C 6.297753 -2.803527 -1.995385
C 4.817262 4.652818 0.523658
C -5.453637 -3.193889 0.681128
C -5.615055 -3.790921 1.945408
C -4.622014 -1.816372 2.941975
C -5.196087 -3.095407 3.106204
H 3.285566 2.788937 1.712533
H -2.059295 0.866440 -2.341629
H -3.374459 1.263436 1.776400
H 3.150127 0.655433 -0.882367
H -4.964175 -1.718734 -1.480875
H 0.296354 1.591278 -1.667352
H -1.025312 2.053303 2.438327
H 6.603375 -0.219852 0.262506
H 4.551053 -3.147079 -3.247449
H 2.101057 -1.139712 -1.741042
H 2.822088 -0.105442 -3.010131
H 2.588306 -1.845081 -3.298507
H 7.878563 -2.190849 -0.624886
H 6.847136 -3.665596 -2.388303
H 5.232444 5.391157 -0.179374
H 5.611870 3.995953 0.922200
H 4.376236 5.187534 1.387644
H -5.785229 -3.701813 -0.230183
H -6.075954 -4.781023 2.024865
H -4.296815 -1.231571 3.809742
H -5.318444 -3.523379 4.104720


