%chk=000185222.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185222

0 1
S -1.465679 -1.116009 -0.022554
O -3.714949 0.230688 0.286859
N -1.811174 1.436484 0.744350
C 0.190831 1.874961 -0.699327
C -0.333604 1.558996 0.712002
C 1.685250 2.223192 -0.677753
C 2.534020 1.091649 -0.161797
C -2.506045 0.311681 0.350733
C -2.573644 2.691043 0.966904
C -2.752271 -2.431829 -0.273623
C 3.186041 1.202982 1.075391
C 2.683867 -0.080970 -0.919325
C -2.060712 -3.489537 -1.109914
C -3.208700 -2.921444 1.083920
C 3.979653 0.153242 1.547255
C 3.476464 -1.127289 -0.442364
C 4.127028 -1.013033 0.791021
H 0.012921 1.008871 -1.369864
H -0.377967 2.715639 -1.141258
H -0.032577 2.360541 1.424228
H 0.136678 0.623276 1.100905
H 2.012092 2.489103 -1.705993
H 1.849281 3.141750 -0.078509
H -2.313925 3.457647 0.220209
H -2.365739 3.083344 1.975755
H -3.662909 2.498931 0.896127
H -3.605566 -1.965607 -0.827517
H 3.077716 2.106032 1.671432
H 2.176063 -0.177974 -1.876959
H -2.747113 -4.320087 -1.328061
H -1.716794 -3.097153 -2.076749
H -1.188702 -3.926518 -0.604511
H -3.927710 -3.745840 0.986705
H -2.381409 -3.285533 1.706014
H -3.715932 -2.122321 1.646906
H 4.483613 0.245513 2.507873
H 3.586992 -2.035572 -1.032518
H 4.743811 -1.829150 1.160009


%chk=000185222-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185222

0 1
S -1.392328 -1.164705 -0.041346
O -3.794254 0.180678 0.190043
N -1.889282 1.469450 0.623796
C 0.225975 2.009950 -0.644063
C -0.418681 1.607234 0.703947
C 1.742600 2.306782 -0.518099
C 2.601534 1.132901 -0.051079
C -2.540502 0.298568 0.286270
C -2.694081 2.687252 0.845200
C -2.750633 -2.496510 -0.295751
C 3.574947 1.314894 0.964752
C 2.475929 -0.153840 -0.638074
C -2.150652 -3.600294 -1.182433
C -3.257182 -3.005444 1.062778
C 4.404289 0.248082 1.381227
C 3.300185 -1.223226 -0.223966
C 4.270443 -1.027111 0.786432
H 0.047974 1.202066 -1.377723
H -0.279686 2.913551 -1.038123
H -0.198477 2.379361 1.467173
H 0.019834 0.660825 1.067688
H 2.104426 2.649114 -1.509299
H 1.889257 3.160714 0.172855
H -2.383642 3.490775 0.150964
H -2.572123 3.046747 1.884539
H -3.752974 2.446341 0.668481
H -3.556400 -1.951619 -0.817000
H 3.685863 2.301906 1.431730
H 1.724543 -0.327160 -1.417579
H -2.918664 -4.373905 -1.372158
H -1.813050 -3.201597 -2.154827
H -1.292118 -4.092976 -0.689863
H -4.049499 -3.763886 0.906832
H -2.440759 -3.471794 1.643151
H -3.687566 -2.178920 1.652173
H 5.149806 0.411722 2.167923
H 3.184130 -2.209288 -0.688040
H 4.910017 -1.856939 1.107471


