%chk=000250758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250758

0 1
S -0.977328 -2.447247 0.175399
O 3.098305 1.509134 -0.662048
O 2.188114 -2.955672 0.092901
O -4.193750 0.939636 -0.160136
N 0.882857 0.920330 -0.454833
N 2.670063 -0.739827 -0.290205
N -1.431095 0.132071 -0.188350
N -3.431645 -1.236667 0.123028
C 0.455103 2.349828 -0.590186
C -0.037458 -0.088990 -0.232445
C 2.300332 0.614247 -0.469274
C 0.378005 -1.413546 -0.051954
C 0.246158 2.990739 0.789163
C 1.746532 -1.837350 -0.056916
C 4.143293 -1.032423 -0.252017
C -2.067828 -1.023210 0.018693
C -0.145213 4.457254 0.641962
C 4.724849 -0.751067 1.127407
C -4.456937 -0.216205 0.023018
C -5.831727 -0.795016 0.176539
H -0.487404 2.380524 -1.185969
H 1.243502 2.891699 -1.164792
H 1.169423 2.902364 1.395702
H -0.544777 2.442583 1.342763
H 4.279955 -2.105705 -0.528148
H 4.645546 -0.409186 -1.027534
H 0.627581 5.037051 0.123522
H -1.081758 4.572714 0.081997
H -0.296944 4.921965 1.623792
H 4.622682 0.307235 1.402833
H 4.233199 -1.347555 1.906696
H 5.794036 -0.994264 1.155721
H -3.727606 -2.207155 0.282866
H -6.075208 -1.530451 -0.603660
H -6.585813 0.009146 0.095874
H -5.987947 -1.272584 1.154392


%chk=000250758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250758

0 1
S -0.991141 -2.562194 0.193793
O 3.117462 1.572774 -0.575099
O 2.253354 -3.012035 0.109691
O -4.172867 1.027608 -0.171177
N 0.882447 0.895404 -0.410682
N 2.673624 -0.713580 -0.258887
N -1.394499 0.094247 -0.173830
N -3.427061 -1.196252 0.106939
C 0.413288 2.301439 -0.559842
C -0.021295 -0.135905 -0.207676
C 2.279580 0.640009 -0.420855
C 0.409776 -1.454760 -0.036871
C 0.273419 3.023100 0.797859
C 1.799771 -1.838775 -0.046206
C 4.139937 -0.985555 -0.265666
C -2.048751 -1.038012 0.020124
C -0.224050 4.470654 0.602842
C 4.761949 -0.822328 1.134432
C -4.430457 -0.182143 0.010119
C -5.839939 -0.750836 0.156285
H -0.560585 2.269554 -1.076229
H 1.154574 2.818958 -1.191217
H 1.253838 3.023271 1.309967
H -0.440304 2.464576 1.432376
H 4.263280 -2.019693 -0.625495
H 4.598689 -0.280844 -0.977583
H 0.478321 5.055196 -0.020291
H -1.214432 4.487069 0.111085
H -0.321733 4.987237 1.574176
H 4.636667 0.211004 1.500351
H 4.300851 -1.522377 1.852132
H 5.843995 -1.041623 1.087981
H -3.764386 -2.150315 0.256607
H -6.057169 -1.494293 -0.632959
H -6.560943 0.074313 0.071181
H -5.976114 -1.240493 1.138424


