%chk=000263879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263879

0 1
S 1.692284 0.778951 0.970642
O -2.791007 -1.088366 0.138442
O 0.845932 0.140917 1.960442
O 2.524493 1.907755 1.340521
O -4.354416 -1.051036 1.773435
N 0.703963 1.385641 -0.304901
C -1.727866 1.072667 0.564941
C -1.449152 1.414456 -1.680604
C -0.617975 0.776290 -0.509067
C -2.940939 0.351278 -0.085417
C -2.736234 0.547400 -1.609892
C -1.975277 2.592148 0.395397
C -1.794486 2.825631 -1.130104
C -3.534195 -1.673356 1.142119
C 2.648106 -0.433715 0.192190
C -3.151079 -3.107434 1.255394
C 3.795476 -0.067885 -0.517524
C 2.273843 -1.778215 0.282545
C 4.567440 -1.049257 -1.147836
C 3.044313 -2.759918 -0.346849
C 4.189711 -2.393488 -1.063143
H -1.493304 0.745192 1.588610
H -0.959785 1.419052 -2.660102
H -0.476407 -0.322471 -0.648910
H -3.923468 0.677644 0.299461
H -3.599706 1.035321 -2.082842
H -2.603241 -0.424532 -2.116161
H -1.257348 3.178625 0.989606
H -2.975683 2.889406 0.745059
H -2.705135 3.232975 -1.593293
H -0.991570 3.547587 -1.340922
H 0.698277 2.408780 -0.424437
H -2.532034 -3.267448 2.154176
H -2.569595 -3.457747 0.389171
H -4.042659 -3.745156 1.356228
H 4.097823 0.983243 -0.574147
H 1.384090 -2.063918 0.855053
H 5.461918 -0.766159 -1.700660
H 2.755875 -3.807405 -0.276791
H 4.791316 -3.159252 -1.554528


%chk=000263879-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263879

0 1
S 1.621869 0.558505 1.146030
O -2.978727 -1.113972 0.080227
O 0.679900 -0.396908 2.080285
O 2.510250 1.775872 1.766685
O -4.204966 -0.754588 2.035255
N 0.625561 1.382960 -0.214765
C -1.875215 1.092183 0.505640
C -1.396183 1.367886 -1.724482
C -0.690795 0.763536 -0.463996
C -3.034436 0.354734 -0.211192
C -2.712927 0.535544 -1.728703
C -2.090998 2.618616 0.268899
C -1.736749 2.814384 -1.254515
C -3.576775 -1.529720 1.280083
C 2.744981 -0.589263 0.155033
C -3.326156 -3.002785 1.514147
C 3.849261 -0.024531 -0.503138
C 2.445215 -1.960037 0.157847
C 4.698281 -0.899320 -1.218804
C 3.306764 -2.818080 -0.565810
C 4.423960 -2.288025 -1.252526
H -1.742683 0.795502 1.555396
H -0.816084 1.308304 -2.657254
H -0.544226 -0.325908 -0.567681
H -4.022724 0.726459 0.106918
H -3.524733 1.049550 -2.271067
H -2.565251 -0.456613 -2.189643
H -1.433745 3.217719 0.924801
H -3.126708 2.919467 0.505063
H -2.579390 3.233167 -1.831726
H -0.878553 3.496786 -1.393660
H 0.574357 2.371292 0.102022
H -2.350705 -3.123658 2.020768
H -3.286607 -3.554490 0.561979
H -4.109286 -3.414594 2.168304
H 4.045072 1.050584 -0.444423
H 1.585329 -2.335341 0.722179
H 5.570915 -0.497734 -1.744167
H 3.107274 -3.894466 -0.586258
H 5.087930 -2.958813 -1.808448


