%chk=000199174.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199174

0 1
S -2.779622 -1.304684 -1.920554
O 0.128925 1.129927 -0.189028
O 4.047449 1.438229 2.234844
O -2.497618 -1.431930 -3.376041
N 1.268843 -1.507049 -1.365558
N 3.828015 -0.419896 0.893807
N 2.084839 1.286631 1.015610
N 3.304041 -2.303220 -0.679560
C 1.775495 -0.587593 -0.429406
C -0.036452 -1.372626 -2.044943
C 3.041400 -1.105384 -0.029353
C -1.181745 -1.670666 -1.090812
C 1.212526 0.638430 0.079994
C 2.206795 -2.522214 -1.479050
C 3.369375 0.816667 1.439766
C -2.878190 0.487051 -1.558948
C 5.148726 -0.961176 1.297426
C 1.635013 2.569561 1.624108
C -3.593559 0.618377 -0.260265
C -2.881190 0.951339 0.903985
C -4.980898 0.407814 -0.187561
C -3.548895 1.062305 2.125286
C -5.641765 0.519964 1.038342
C -4.928755 0.844055 2.196842
H -0.069013 -2.048575 -2.935377
H -0.112639 -0.325809 -2.442693
H -1.102670 -1.071805 -0.160249
H -1.189658 -2.728141 -0.775006
H 2.100002 -3.383902 -2.128318
H -3.414632 0.991319 -2.386855
H -1.879167 0.973952 -1.533870
H 5.628943 -0.288177 2.033376
H 5.807760 -1.057174 0.415622
H 5.027704 -1.961749 1.750200
H 0.835386 3.019995 1.007164
H 2.479039 3.280062 1.693215
H 1.244823 2.396377 2.641250
H -1.804418 1.139544 0.848279
H -5.546054 0.163678 -1.085224
H -2.992656 1.323184 3.024541
H -6.717375 0.356590 1.089832
H -5.446428 0.930919 3.149784


%chk=000199174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199174

0 1
S -2.783315 -1.917678 -1.819687
O 0.206997 1.188051 0.463762
O 4.454150 1.125265 2.511285
O -2.212090 -2.207555 -3.372083
N 1.271162 -1.186455 -1.272724
N 4.060224 -0.452368 0.818502
N 2.352268 1.131950 1.471616
N 3.392909 -2.001160 -0.994837
C 1.865288 -0.433669 -0.245108
C -0.104596 -1.034551 -1.778952
C 3.162171 -0.959196 -0.106940
C -1.142673 -1.589415 -0.798925
C 1.366106 0.662724 0.541113
C 2.222671 -2.105798 -1.681637
C 3.677261 0.625178 1.650488
C -3.429127 -0.012631 -1.899169
C 5.415493 -1.026728 0.938789
C 1.991140 2.265095 2.355099
C -3.968949 0.455719 -0.587621
C -3.144467 1.165110 0.330398
C -5.318628 0.180322 -0.229899
C -3.665308 1.591248 1.571941
C -5.834846 0.606835 1.011739
C -5.008935 1.314997 1.917256
H -0.207596 -1.573715 -2.743687
H -0.285526 0.036584 -1.963485
H -1.408951 -0.903364 0.017917
H -0.861956 -2.581471 -0.408339
H 2.034621 -2.824777 -2.475528
H -4.178494 -0.110234 -2.700249
H -2.548391 0.534449 -2.266541
H 5.943961 -0.471365 1.726818
H 5.950605 -0.932642 -0.020681
H 5.349808 -2.095393 1.202170
H 0.968320 2.572748 2.094434
H 2.697254 3.097711 2.205811
H 2.044246 1.953488 3.411116
H -2.099392 1.387008 0.082614
H -5.963597 -0.362875 -0.931881
H -3.020489 2.140102 2.266825
H -6.877385 0.393229 1.272497
H -5.410246 1.649424 2.880389


