%chk=000214351.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214351

0 1
S 1.571364 1.368112 0.684242
O 1.480705 2.477679 -0.294880
O 7.011505 -1.236173 -1.079982
N -1.178076 1.388829 0.099760
N -5.954917 -0.054801 0.190444
N -0.454768 -0.477331 1.219569
N 4.193459 0.980453 1.029409
C -2.320970 0.616965 0.353413
C -1.852889 -0.552151 1.059789
C -0.092627 0.675964 0.643258
C -4.557094 -0.186467 0.469274
C -3.679642 0.813288 0.055350
C 2.372152 -0.045436 -0.162592
C 3.838979 0.074039 0.060273
C -2.773580 -1.538671 1.466204
C -4.108366 -1.352418 1.167341
C 4.778585 -0.684795 -0.657651
C 6.147845 -0.466894 -0.344007
C -7.007534 -0.562602 0.981765
C -6.514423 0.615198 -0.918910
C 4.377531 -1.667641 -1.702021
C 6.525682 0.457505 0.635864
C -8.204131 -0.212166 0.370795
C -7.896026 0.520704 -0.818562
C 5.506366 1.161372 1.298112
C 8.433508 -1.083028 -0.836767
H -1.125008 2.267429 -0.393067
H 2.123355 -0.066892 -1.242023
H 1.985867 -1.001822 0.256517
H -4.016992 1.708160 -0.458878
H -2.419713 -2.421744 1.998815
H -4.838269 -2.109763 1.453737
H -6.834490 -1.099778 1.894701
H -5.911172 1.075195 -1.677778
H 5.241062 -2.238585 -2.080512
H 3.653506 -2.398421 -1.315415
H 3.922017 -1.166264 -2.568617
H 7.563268 0.640365 0.887556
H -9.190579 -0.443172 0.719588
H -8.614974 0.920536 -1.505074
H 5.743857 1.899472 2.074438
H 8.750913 -0.062418 -1.069432
H 8.857590 -1.800153 -1.552488
H 8.675424 -1.364877 0.191939


%chk=000214351-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214351

0 1
S 1.651256 1.296966 0.657313
O 1.509486 1.703982 -0.978085
O 6.762073 -0.346640 -1.720035
N -0.984380 0.891350 -0.096214
N -5.866841 -0.235164 -0.017397
N -0.639158 0.246464 2.079974
N 4.530304 -0.430466 1.872494
C -2.231254 0.452025 0.364224
C -2.000728 0.049151 1.731032
C -0.103820 0.736915 0.964411
C -4.555588 -0.125495 0.545107
C -3.498806 0.385210 -0.243267
C 2.441288 -0.540389 0.669854
C 3.934042 -0.457526 0.630484
C -3.074398 -0.451247 2.500290
C -4.339810 -0.543246 1.897049
C 4.647345 -0.414189 -0.600750
C 6.071856 -0.367294 -0.506987
C -7.075958 -0.087415 0.686006
C -6.163506 -0.493185 -1.367798
C 3.954260 -0.419416 -1.949009
C 6.701971 -0.339469 0.760744
C -8.128485 -0.248660 -0.217201
C -7.552101 -0.512455 -1.513573
C 5.885598 -0.368943 1.912988
C 8.227308 -0.263740 -1.678813
H -0.666917 1.262256 -1.000533
H 1.963956 -1.009229 -0.202440
H 2.088362 -0.943560 1.630187
H -3.678855 0.741788 -1.261030
H -2.912624 -0.772254 3.533011
H -5.177384 -0.968513 2.457702
H -7.084319 0.174057 1.741432
H -5.374342 -0.698624 -2.087435
H 4.661728 -0.141636 -2.744674
H 3.565639 -1.428794 -2.190124
H 3.107405 0.289613 -1.960382
H 7.788679 -0.296647 0.869532
H -9.187650 -0.175282 0.024510
H -8.089615 -0.707407 -2.440300
H 6.338396 -0.346260 2.910689
H 8.560673 0.662006 -1.172504
H 8.539331 -0.245247 -2.732783
H 8.663881 -1.146586 -1.174205


