%chk=000193956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193956

0 1
S 1.002081 0.288918 1.424132
S -3.225941 0.831835 -0.474849
S 4.140882 2.438132 -1.894115
O 1.056130 -3.041243 -1.620890
O -2.787270 -3.271415 0.151588
O 5.091890 -1.906189 0.440833
O -2.083431 -2.376709 -1.783065
N 0.206628 -2.115371 0.439541
N 3.150704 -0.942303 -0.272522
N -5.545878 2.095422 -1.271200
N -5.472125 1.659142 0.934730
N -6.710560 2.588605 -0.761884
C 1.227443 -1.505315 1.342385
C 2.335374 -1.965955 0.347510
C 1.175398 -2.490316 -0.580029
C -1.114872 -1.633404 0.345047
C -1.595676 -0.570957 1.039010
C -0.752916 0.309661 1.899481
C -3.044962 -0.223145 1.002937
C 4.551479 -0.994351 -0.154945
C -1.990107 -2.428078 -0.585591
C 5.313328 0.116611 -0.858894
C 4.786972 1.466617 -0.588085
C -4.790083 1.535437 -0.229644
C 4.712971 2.155148 0.585535
C 4.130775 3.471632 0.439897
C 3.770107 3.771914 -0.835831
C -6.661611 2.313190 0.574338
H 1.253426 -1.971627 2.347667
H 2.975554 -2.797572 0.749551
H -0.859443 0.026436 2.969290
H -1.074510 1.375436 1.824115
H 2.676355 -0.148561 -0.707136
H -3.707881 -1.113411 0.932916
H -3.386693 0.316815 1.914654
H 5.352941 -0.115350 -1.949797
H 6.383725 0.053371 -0.528977
H -3.372563 -3.840933 -0.423076
H 5.044051 1.783830 1.546911
H 4.009121 4.129393 1.291417
H 3.321315 4.673982 -1.214530
H -5.331030 2.174662 -2.257001
H -7.435599 2.563417 1.287576


%chk=000193956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193956

0 1
S 0.256879 0.116899 1.714963
S -4.088996 0.275712 -0.934808
S 5.098810 1.614364 -1.891789
O 1.382835 -2.176930 -2.003429
O -1.115625 -3.832986 -1.653212
O 4.747844 -1.799238 1.489379
O -2.970730 -2.467938 -1.959511
N 0.037793 -2.092302 0.045568
N 3.015769 -0.683821 0.401958
N -5.045115 2.835594 -0.303591
N -3.980616 1.887850 1.412367
N -5.101306 3.800048 0.715856
C 0.750936 -1.653880 1.265138
C 2.107634 -1.799820 0.475315
C 1.210185 -2.076380 -0.782405
C -1.343740 -1.956599 -0.198742
C -2.127675 -1.143434 0.601322
C -1.585679 -0.332131 1.765958
C -3.617784 -1.024861 0.416925
C 4.302772 -0.764139 0.914271
C -1.906867 -2.730338 -1.342868
C 5.164160 0.512475 0.775353
C 4.642641 1.589133 -0.137492
C -4.375843 1.705819 0.123664
C 3.788091 2.647194 0.153637
C 3.476659 3.485564 -0.980204
C 4.093210 3.076085 -2.150812
C -4.447771 3.162748 1.723197
H 0.598721 -2.306258 2.137745
H 2.685881 -2.680376 0.807825
H -1.764365 -0.871313 2.716016
H -2.138246 0.625005 1.827460
H 2.728290 0.183668 -0.061467
H -4.091998 -1.939875 0.038169
H -4.112252 -0.670601 1.334293
H 6.170012 0.168535 0.476667
H 5.277310 0.918355 1.799035
H -1.468099 -4.275322 -2.471637
H 3.397108 2.826462 1.159350
H 2.821641 4.358055 -0.925130
H 4.039761 3.511972 -3.146714
H -5.482345 3.033580 -1.201596
H -4.304391 3.630827 2.692977


