%chk=000218224.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218224

0 1
S -0.454402 1.263091 1.683670
O 6.093197 -0.142119 0.769721
N -1.367023 -0.934461 -0.437365
N -3.083784 -3.220710 0.106934
N 4.540729 -0.838832 -0.790231
C -0.326021 -0.176394 -1.213718
C -2.556533 -1.245287 -1.300708
C -0.811682 -2.217369 0.112956
C -3.635990 -1.939917 -0.446613
C -1.891162 -2.914143 0.964706
C -0.825647 1.229556 -1.637032
C 0.940963 0.009638 -0.396550
C -1.828836 1.879870 -0.730266
C 0.957108 0.723229 0.803958
C -4.126611 -3.934974 0.903062
C 2.143493 -0.497125 -0.910657
C -1.708764 1.943766 0.659884
C -2.949478 2.489992 -1.334103
C 2.164395 0.952075 1.482036
C 3.352151 -0.285330 -0.218877
C 3.361609 0.448763 0.981940
C -2.683858 2.593852 1.438212
C -3.916302 3.136742 -0.568767
C -3.784616 3.187572 0.825298
C 5.850041 -0.736047 -0.259258
C 6.891241 -1.430122 -1.092997
H -0.061819 -0.726456 -2.161589
H -2.299857 -1.885345 -2.172519
H -2.972202 -0.292077 -1.691641
H 0.056406 -1.979584 0.766200
H -0.455229 -2.907529 -0.681583
H -4.508992 -2.184165 -1.087222
H -3.987279 -1.241170 0.344810
H -2.139961 -2.274309 1.840500
H -1.487111 -3.871431 1.355499
H -1.239026 1.153946 -2.664853
H 0.051250 1.910389 -1.735710
H -3.709430 -4.888596 1.264006
H -4.972708 -4.183520 0.242906
H -4.514496 -3.377597 1.768412
H 2.134068 -1.055536 -1.843190
H -3.060553 2.455796 -2.416490
H 2.176534 1.529467 2.411331
H 4.300970 0.626667 1.518020
H -2.586208 2.640824 2.525089
H -4.773146 3.602665 -1.050951
H -4.538394 3.691223 1.426756
H 4.410380 -1.355238 -1.662240
H 6.713569 -2.510296 -1.178102
H 7.883312 -1.307919 -0.623758
H 6.968203 -1.014628 -2.106314


%chk=000218224-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218224

0 1
S -0.478471 1.359151 1.832998
O 6.243804 -0.225855 0.779232
N -1.347734 -0.976082 -0.443552
N -3.084063 -3.248552 0.085180
N 4.573616 -0.834605 -0.756365
C -0.316877 -0.167943 -1.147495
C -2.531176 -1.259731 -1.294427
C -0.815901 -2.242775 0.121236
C -3.615197 -1.988131 -0.483689
C -1.902829 -2.962573 0.933503
C -0.872968 1.220905 -1.612295
C 0.950641 0.026035 -0.318408
C -1.872810 1.922157 -0.700565
C 0.979034 0.747494 0.904495
C -4.117540 -4.019870 0.801388
C 2.171669 -0.463906 -0.830360
C -1.761543 2.053580 0.709695
C -2.998712 2.530600 -1.323601
C 2.210293 0.934186 1.580140
C 3.405721 -0.286005 -0.152914
C 3.420904 0.422175 1.076228
C -2.748667 2.763054 1.445845
C -3.979749 3.239067 -0.601928
C -3.852273 3.352962 0.800983
C 5.893015 -0.793246 -0.297182
C 6.904167 -1.494200 -1.203056
H 0.006196 -0.695451 -2.086730
H -2.250368 -1.891315 -2.176842
H -2.953151 -0.310652 -1.665421
H 0.035838 -2.011695 0.783128
H -0.454104 -2.928668 -0.687523
H -4.468113 -2.228279 -1.146540
H -3.981618 -1.296702 0.317828
H -2.171698 -2.321200 1.811516
H -1.500353 -3.919472 1.316337
H -1.353616 1.097257 -2.600099
H 0.004183 1.874948 -1.784891
H -3.689522 -4.974790 1.156560
H -4.951072 -4.252975 0.114225
H -4.539889 -3.479503 1.686913
H 2.148856 -1.011609 -1.783031
H -3.095440 2.439281 -2.413237
H 2.223468 1.502416 2.516537
H 4.363898 0.572829 1.603490
H -2.642751 2.856718 2.533046
H -4.828455 3.693709 -1.123745
H -4.598643 3.897361 1.389492
H 4.420359 -1.323399 -1.640960
H 7.415255 -2.283173 -0.624689
H 7.674233 -0.765596 -1.509773
H 6.462650 -1.947039 -2.108076


