%chk=000215503.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215503

0 1
S 2.270852 -1.702893 1.347635
S -1.427965 1.592038 0.929059
O 0.567584 3.017880 -0.106555
O -4.360548 -0.542447 -0.910326
N 0.959185 0.728958 0.080180
N -0.832342 -0.495017 -0.912368
N -4.230863 0.773738 0.958672
C 2.406408 0.750891 0.086256
C 0.297807 -0.529622 -0.142819
C 3.111681 -0.332082 0.642970
C 0.817570 -1.728566 0.383804
C 3.115859 1.843094 -0.439323
C 0.186078 1.917564 0.168765
C 4.505338 -0.331154 0.680738
C -2.573859 2.063553 -0.406711
C 0.138365 -2.923624 0.140038
C 4.511889 1.845624 -0.383062
C -3.978045 2.014312 0.190134
C 5.207271 0.767317 0.173353
C -1.044180 -2.889728 -0.603426
C -1.497573 -1.659440 -1.113588
C -4.326617 -0.463454 0.307192
C -4.429108 -1.652776 1.221590
H 2.583177 2.692927 -0.878660
H 5.049214 -1.177959 1.103321
H -2.474494 1.338131 -1.248702
H -2.329685 3.067066 -0.800376
H 0.523320 -3.869647 0.526889
H 5.060890 2.699539 -0.782217
H -4.722050 2.073230 -0.645859
H -4.165688 2.886305 0.857088
H 6.295463 0.779028 0.208747
H -1.603804 -3.801277 -0.799767
H -2.430455 -1.578177 -1.700269
H -4.038635 0.817585 1.955742
H -5.178988 -1.524362 2.012370
H -4.719155 -2.546393 0.646079
H -3.465998 -1.876761 1.701703


%chk=000215503-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215503

0 1
S 1.914581 -1.416385 1.904938
S -1.743942 0.166784 -1.407199
O -0.030701 2.217743 -0.792398
O -5.899628 2.104563 1.226561
N 0.921348 0.090204 -0.563118
N 0.355827 -1.837916 -1.866998
N -3.940871 0.892303 0.876545
C 2.162525 0.628236 -0.031538
C 0.831276 -1.339983 -0.699688
C 2.743757 0.024794 1.110271
C 1.280445 -2.168292 0.363521
C 2.810522 1.725603 -0.644562
C -0.132087 0.971027 -0.890536
C 3.948116 0.519866 1.652748
C -2.822863 1.722256 -1.205709
C 1.201091 -3.567990 0.206106
C 4.002998 2.235957 -0.090173
C -3.205839 2.001643 0.256105
C 4.570898 1.639910 1.059394
C 0.660434 -4.091010 -0.990669
C 0.249229 -3.189757 -1.998690
C -5.250760 1.016959 1.316863
C -5.859236 -0.243766 1.927908
H 2.366203 2.185482 -1.529524
H 4.393128 0.031730 2.525746
H -3.706628 1.518770 -1.832502
H -2.240709 2.559566 -1.622431
H 1.550778 -4.231117 1.003482
H 4.489164 3.096985 -0.559899
H -3.875486 2.880408 0.299674
H -2.294300 2.235869 0.837283
H 5.498682 2.034242 1.486395
H 0.574022 -5.170605 -1.143758
H -0.169108 -3.545217 -2.945966
H -3.465557 -0.010228 0.941622
H -5.191060 -1.121595 1.887955
H -6.120407 -0.042090 2.981399
H -6.797939 -0.481550 1.399137


