%chk=000214262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214262

0 1
S 5.830580 1.978916 -0.128442
O -6.971334 0.640349 -0.524252
N 4.886817 -0.395810 0.422392
N 6.890058 0.165222 1.662788
C 0.490679 -1.199596 -0.571625
C 1.461525 -0.034898 -0.193489
C -0.844901 -1.062063 0.171824
C -1.507086 0.271241 -0.278631
C -2.878656 0.501807 0.437729
C 2.760295 -0.495120 -0.943487
C 0.834267 1.270091 -0.714919
C -0.556571 1.475056 -0.088934
C 1.339103 -2.465297 -0.367895
C 2.776044 -2.037381 -0.751745
C -1.780267 -2.238841 -0.146199
C 1.740126 0.070755 1.311170
C -3.763710 -0.737463 0.288259
C -3.127838 -2.072947 0.560081
C -3.563757 1.725965 -0.231544
C -2.706478 0.752509 1.946471
C 3.992187 0.223614 -0.485308
C -5.038014 1.869787 0.136124
C -5.074892 -0.664133 0.004013
C -5.808824 0.601998 -0.176933
C 4.352164 1.481076 -0.893749
C 5.906506 0.404658 0.720231
H 0.270296 -1.126335 -1.668298
H -0.660173 -1.030242 1.272298
H -1.722260 0.180213 -1.373737
H 2.637227 -0.280816 -2.035365
H 0.755908 1.249993 -1.817003
H 1.482534 2.132900 -0.473429
H -0.436607 1.689937 0.991553
H -1.014540 2.381713 -0.528179
H 0.985173 -3.301184 -0.989592
H 1.299641 -2.812087 0.678198
H 3.489709 -2.335843 0.038373
H 3.113699 -2.534233 -1.673821
H -1.310687 -3.191584 0.164509
H -1.936369 -2.323136 -1.239382
H 2.339634 0.958375 1.542670
H 0.816183 0.130116 1.895210
H 2.306951 -0.795645 1.676226
H -2.998164 -2.180444 1.659623
H -3.803159 -2.903282 0.265874
H -3.474450 1.639378 -1.333782
H -3.023579 2.652138 0.043879
H -2.184883 1.696753 2.138884
H -3.675185 0.805778 2.456336
H -2.123387 -0.044117 2.422821
H -5.493060 2.727817 -0.398879
H -5.160543 2.101066 1.213947
H -5.696104 -1.554523 -0.107541
H 3.841845 2.123800 -1.585468
H 7.790541 0.602074 1.520921
H 6.949183 -0.782074 2.024724


%chk=000214262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214262

0 1
S 6.153914 1.824323 -0.715762
O -7.028339 0.690206 -0.821824
N 4.856992 -0.221523 0.444753
N 6.922987 0.318675 1.529608
C 0.508707 -1.195869 -0.466095
C 1.498017 -0.047447 -0.091636
C -0.858412 -1.084036 0.238326
C -1.505598 0.291059 -0.133522
C -2.938098 0.511616 0.509020
C 2.747255 -0.499032 -0.938338
C 0.857824 1.289979 -0.531261
C -0.538028 1.484266 0.121362
C 1.349923 -2.485878 -0.302518
C 2.792787 -2.057024 -0.740043
C -1.799846 -2.240254 -0.164680
C 1.849697 -0.013284 1.418467
C -3.811803 -0.721993 0.213780
C -3.197628 -2.083701 0.480070
C -3.579882 1.782515 -0.132472
C -2.856419 0.685798 2.059967
C 4.056546 0.195045 -0.644444
C -5.101468 1.901086 0.089932
C -5.106422 -0.624652 -0.232809
C -5.838094 0.648438 -0.380406
C 4.568645 1.249609 -1.378867
C 5.961503 0.495796 0.559765
H 0.308697 -1.079356 -1.558046
H -0.700899 -1.134874 1.336787
H -1.678736 0.247187 -1.234936
H 2.495548 -0.283674 -1.997163
H 0.744761 1.291484 -1.636689
H 1.511898 2.145624 -0.271194
H -0.408215 1.638855 1.209265
H -0.983368 2.415269 -0.275589
H 0.963235 -3.320172 -0.914394
H 1.341691 -2.823360 0.751823
H 3.541999 -2.308977 0.029241
H 3.102846 -2.556796 -1.675150
H -1.363843 -3.211621 0.136342
H -1.901826 -2.258273 -1.269648
H 2.533331 0.828990 1.626573
H 0.954095 0.115924 2.051014
H 2.367691 -0.931578 1.742068
H -3.088174 -2.216252 1.578152
H -3.881949 -2.879770 0.133783
H -3.384806 1.758917 -1.224073
H -3.084315 2.687914 0.263766
H -2.298117 1.601466 2.322719
H -3.866858 0.770284 2.498685
H -2.354172 -0.168856 2.545959
H -5.520956 2.777416 -0.435267
H -5.328411 2.040010 1.167055
H -5.683630 -1.530672 -0.460953
H 4.153615 1.734056 -2.260107
H 7.765167 0.883996 1.561347
H 6.782340 -0.420879 2.213757


