%chk=000210285.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210285

0 1
S 6.912296 0.982682 0.684023
S 7.619283 -0.150927 -0.879264
O 6.482751 0.317493 -2.023020
O 8.860285 0.376826 -1.337697
O 7.390415 -1.529868 -0.617994
N 3.007098 -0.153687 0.679426
C -5.801764 -0.271097 -0.346198
C -6.177235 1.038464 0.377275
C -6.942296 -1.301135 -0.199078
C -4.484915 -0.857164 0.202504
C -7.500257 1.605450 -0.155117
C -8.267396 -0.738150 -0.731143
C -8.635168 0.578809 -0.033167
C -3.262555 -0.025831 -0.208180
C -1.962493 -0.635107 0.334099
C -0.739967 0.196737 -0.077009
C 0.557262 -0.413136 0.468139
C 1.777556 0.422826 0.050079
C 4.248868 0.534007 0.205230
C 5.378321 0.113888 1.143633
H -5.670181 -0.048737 -1.433054
H -6.258664 0.856581 1.465316
H -5.370448 1.783697 0.251744
H -6.686512 -2.229951 -0.740547
H -7.057168 -1.585751 0.863602
H -4.536610 -0.934816 1.304977
H -4.362969 -1.895423 -0.162762
H -7.763862 2.526063 0.397584
H -7.380601 1.906659 -1.213338
H -8.193119 -0.574274 -1.823258
H -9.074985 -1.479487 -0.586765
H -8.851681 0.387173 1.035186
H -9.565275 0.989661 -0.466723
H -3.373454 1.013096 0.159425
H -3.212866 0.048965 -1.311632
H -2.013583 -0.709070 1.437789
H -1.852335 -1.674118 -0.031890
H -0.852622 1.235148 0.291305
H -0.690286 0.270576 -1.180631
H 0.514326 -0.476613 1.574939
H 0.664522 -1.455878 0.112883
H 1.665764 1.466593 0.420678
H 1.841529 0.480513 -1.058086
H 3.068687 -1.156210 0.464817
H 4.093831 1.636331 0.256853
H 4.502024 0.303428 -0.857223
H 5.148079 0.400000 2.194303
H 5.532018 -0.985437 1.153089
H 6.812650 0.558902 -2.904622


%chk=000210285-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210285

0 1
S 6.972538 0.995445 0.953923
S 8.055713 -0.419697 -0.782112
O 7.852637 0.769578 -2.203112
O 9.640944 -0.695751 -0.612496
O 7.067016 -1.683797 -1.041875
N 3.023066 -0.063781 0.376253
C -5.948602 -0.305699 -0.292266
C -6.382515 1.066330 0.290128
C -7.052600 -1.364558 -0.030515
C -4.584148 -0.788323 0.262055
C -7.762966 1.517305 -0.245876
C -8.432851 -0.921143 -0.569103
C -8.849823 0.448418 0.017751
C -3.371079 0.084472 -0.134131
C -2.024613 -0.520045 0.323924
C -0.802526 0.343505 -0.060875
C 0.540566 -0.289974 0.365827
C 1.754466 0.583368 -0.005609
C 4.265329 0.694532 0.192592
C 5.390524 0.002530 0.985115
H -5.849107 -0.188631 -1.395625
H -6.429802 0.981845 1.397445
H -5.623686 1.839440 0.060772
H -6.758265 -2.330781 -0.487577
H -7.127235 -1.539673 1.064242
H -4.645107 -0.851438 1.369749
H -4.404868 -1.824143 -0.097289
H -8.052588 2.481400 0.216299
H -7.687862 1.696247 -1.338926
H -8.385111 -0.842461 -1.675408
H -9.197655 -1.687612 -0.335699
H -9.000309 0.344664 1.112723
H -9.818760 0.771816 -0.410308
H -3.477027 1.100458 0.296915
H -3.358112 0.212117 -1.237241
H -2.041754 -0.662101 1.424678
H -1.910905 -1.532494 -0.117648
H -0.902505 1.346411 0.404319
H -0.802071 0.507497 -1.158723
H 0.547971 -0.466642 1.458918
H 0.641505 -1.285024 -0.117855
H 1.694106 1.553754 0.526428
H 1.720401 0.818363 -1.098305
H 3.088235 -1.048436 0.087869
H 4.104500 1.717249 0.584489
H 4.582128 0.801587 -0.871030
H 5.114172 -0.149877 2.044943
H 5.624938 -0.989869 0.544273
H 8.539996 0.522318 -2.891525


