%chk=000294259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294259

0 1
S -0.281685 1.926315 -1.352970
O -0.586710 3.325317 -1.138976
O 0.495120 1.567728 -2.515777
O -0.351377 -4.060053 -0.438601
N -0.606474 -1.219867 -0.303679
C -1.043549 0.158471 0.090498
C -1.704370 0.863083 -1.156218
C 0.199246 1.141503 0.179085
C -1.859447 0.162688 1.399035
C -3.007253 1.633453 -0.993802
C -2.876414 1.300443 1.491547
C -3.796044 1.271393 0.268122
C 1.589848 0.620591 0.251597
C 0.039639 -1.996167 0.807695
C -1.704133 -2.063191 -0.887611
C 0.669724 -3.253472 0.186789
C -1.063827 -3.338681 -1.463062
C 2.337222 0.843335 1.423401
C 2.183655 -0.073238 -0.816340
C 3.650817 0.379098 1.522122
C 3.497781 -0.534652 -0.710923
C 4.234761 -0.311976 0.456233
H -1.824093 0.139559 -1.996841
H 0.032745 1.840096 1.036359
H -1.169912 0.197705 2.265046
H -2.404583 -0.799986 1.498780
H -3.645080 1.466093 -1.885814
H -2.814729 2.733460 -0.981517
H -2.365648 2.281061 1.562743
H -3.467835 1.200518 2.421749
H -4.258505 0.271693 0.160696
H -4.634625 1.982034 0.400018
H -0.679144 -2.295571 1.600844
H 0.825560 -1.380434 1.293476
H -2.208000 -1.498019 -1.704500
H -2.485135 -2.329365 -0.143715
H 1.441057 -2.997606 -0.561825
H 1.081435 -3.937110 0.948679
H -1.820056 -4.073071 -1.790397
H -0.366966 -3.107024 -2.288605
H 1.896974 1.384208 2.258288
H 1.618686 -0.253063 -1.738082
H 4.221998 0.560414 2.430964
H 3.950210 -1.064957 -1.548162
H 5.259316 -0.669554 0.532351


%chk=000294259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294259

0 1
S -0.284562 2.316345 -0.944256
O -0.992181 3.685915 -0.380295
O 0.728916 2.396156 -2.224487
O -0.535993 -4.210136 -0.359044
N -0.636402 -1.301903 -0.231272
C -1.018842 0.095412 0.153940
C -1.600117 0.838290 -1.113008
C 0.262224 0.978600 0.517346
C -2.003669 0.148375 1.372474
C -3.037945 1.359150 -1.204291
C -2.919136 1.391479 1.358203
C -3.842593 1.318901 0.125550
C 1.673038 0.543588 0.381788
C -0.070413 -2.113770 0.886911
C -1.717021 -2.088277 -0.891945
C 0.505349 -3.422930 0.324350
C -1.132052 -3.405281 -1.435028
C 2.588118 0.862651 1.426292
C 2.163696 -0.119284 -0.779748
C 3.947317 0.500687 1.332946
C 3.523893 -0.477557 -0.870897
C 4.418947 -0.174827 0.182608
H -1.241559 0.357316 -2.038532
H 0.089715 1.555159 1.441556
H -1.422463 0.093142 2.312305
H -2.652228 -0.750445 1.348641
H -3.580875 0.806070 -1.993584
H -2.984764 2.413577 -1.543252
H -2.330078 2.329457 1.329576
H -3.524279 1.412996 2.283860
H -4.432358 0.382269 0.183758
H -4.564097 2.155155 0.132937
H -0.847639 -2.363733 1.646741
H 0.733901 -1.548389 1.386537
H -2.145910 -1.515911 -1.733777
H -2.547627 -2.332876 -0.186196
H 1.329913 -3.192660 -0.382872
H 0.878950 -4.071521 1.133596
H -1.923350 -4.036456 -1.872467
H -0.364226 -3.178817 -2.206244
H 2.226334 1.395161 2.314903
H 1.476803 -0.353386 -1.595673
H 4.637070 0.748635 2.146883
H 3.892498 -0.980467 -1.771592
H 5.475900 -0.452658 0.103456


