%chk=000295441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295441

0 1
S -0.414827 3.486784 0.862536
O 0.810880 1.825799 -0.759630
O -3.198634 3.367913 1.284954
O 3.024041 1.252792 -0.648374
O -2.694857 2.826305 -0.891869
N 1.289684 -0.277067 -0.162353
N -2.862597 1.201120 0.816845
C -0.001250 4.009641 -0.834141
C -1.352495 4.901026 1.509150
C 1.204239 3.170713 -1.199933
C -2.800694 4.750509 1.075659
C 2.039276 -1.447292 0.187531
C -2.529400 0.004739 0.108262
C 3.397627 -3.799117 0.883637
C -1.879781 -2.402432 -1.179064
C 3.444829 -1.475329 0.160363
C -2.044382 0.025853 -1.211722
C 1.310868 -2.592385 0.563200
C -2.690808 -1.219980 0.786242
C 4.111057 -2.648304 0.507776
C -1.724685 -1.173982 -1.843165
C 1.995426 -3.757665 0.907696
C -2.368881 -2.411191 0.136679
C 4.134146 -5.045280 1.253980
C -1.505563 -3.677415 -1.860026
C 1.857727 0.941780 -0.525689
C -2.838556 2.483602 0.262465
H -0.872417 3.794201 -1.497541
H 0.215022 5.088103 -0.901640
H -1.253811 4.851531 2.614073
H -0.924909 5.868601 1.197317
H 2.137330 3.466340 -0.681318
H 1.381171 3.108792 -2.288583
H -3.509893 5.288385 1.732909
H -2.972378 5.026683 0.017549
H 4.013529 -0.585009 -0.129211
H -1.921550 0.978370 -1.740810
H 0.221828 -2.576385 0.588695
H -3.071689 -1.247532 1.804749
H 5.200424 -2.668798 0.486987
H -1.349658 -1.154247 -2.866923
H 1.429880 -4.641140 1.199794
H -2.504093 -3.357175 0.660257
H 0.262074 -0.338213 -0.131068
H -3.049583 1.123402 1.820877
H 4.774288 -4.881134 2.132894
H 3.463557 -5.879229 1.496208
H 4.785237 -5.382718 0.435007
H -0.418148 -3.844126 -1.804695
H -1.991859 -4.554084 -1.413342
H -1.777443 -3.671057 -2.924693


%chk=000295441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295441

0 1
S -0.516574 4.129791 1.509363
O 1.200910 2.036587 -0.098551
O -3.492630 3.530519 0.553499
O 3.472826 1.411739 -0.075101
O -2.267359 2.680757 -1.281100
N 1.692239 -0.158183 0.063006
N -3.212373 1.293210 0.389745
C 0.342752 4.292284 -0.176603
C -1.953444 5.333242 1.282298
C 1.616961 3.456060 -0.185705
C -2.999871 4.890504 0.247173
C 2.371144 -1.405000 0.162545
C -2.837332 -0.011339 -0.032765
C 3.602328 -3.981217 0.367317
C -2.155096 -2.694240 -0.770261
C 3.784533 -1.526513 0.095797
C -2.011573 -0.251872 -1.164516
C 1.580421 -2.570564 0.335119
C -3.307975 -1.111944 0.728991
C 4.374556 -2.802595 0.198337
C -1.685923 -1.579133 -1.513703
C 2.193804 -3.836428 0.433785
C -2.968013 -2.430279 0.361110
C 4.265935 -5.343450 0.478051
C -1.803123 -4.113204 -1.181699
C 2.255164 1.100127 -0.037953
C -2.906785 2.494938 -0.214817
H -0.351576 3.940337 -0.957058
H 0.601350 5.354762 -0.332975
H -2.403326 5.399008 2.287336
H -1.559345 6.329387 1.008305
H 2.289665 3.693203 0.658643
H 2.174712 3.610315 -1.128811
H -3.888835 5.542693 0.299133
H -2.595191 4.898505 -0.780143
H 4.397787 -0.631709 -0.029541
H -1.649634 0.591379 -1.756536
H 0.488666 -2.483714 0.396910
H -3.942147 -0.938699 1.607743
H 5.467777 -2.882003 0.145596
H -1.050731 -1.751101 -2.391723
H 1.565215 -4.724805 0.571531
H -3.345529 -3.265865 0.962301
H 0.667613 -0.177968 0.064867
H -3.732186 1.374485 1.266299
H 4.929058 -5.399043 1.362299
H 3.518722 -6.150795 0.569670
H 4.890399 -5.562301 -0.408685
H -0.709833 -4.243605 -1.290390
H -2.162065 -4.849973 -0.442242
H -2.256771 -4.371593 -2.157389


