%chk=000252401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252401

0 1
S 1.412996 -0.757868 -0.879216
O 1.489386 -0.939992 -2.310521
O 1.994350 -1.798386 -0.014217
N -4.167147 0.240655 0.857161
N 2.212298 0.681489 -0.464223
N -5.184915 0.775219 0.017489
N 3.758065 2.097357 0.607418
N 4.201478 -0.255591 0.565529
C -0.211131 -0.475239 -0.404459
C -0.739371 -1.138792 0.713344
C -1.016016 0.409611 -1.129757
C -2.867780 -0.031714 0.367480
C -2.056134 -0.932726 1.102170
C -2.339605 0.637820 -0.758445
C 3.336234 0.797811 0.204048
H -0.106975 -1.836070 1.279235
H -0.607834 0.929000 -2.004893
H -2.455254 -1.451941 1.969890
H -2.937226 1.340844 -1.328833
H -4.584404 -0.474380 1.472679
H -5.060619 0.515272 -0.968665
H -5.131477 1.801670 0.061531
H 4.751451 2.287905 0.547805
H 3.206264 2.856142 0.207741
H 3.805353 -1.212693 0.541427
H 4.855613 -0.116001 1.322379


%chk=000252401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252401

0 1
S 1.482056 -0.537325 -0.820117
O 1.580379 -0.423014 -2.441611
O 2.040295 -1.923208 -0.087735
N -4.344960 0.081430 0.713077
N 2.236583 0.955363 -0.009959
N -5.344339 0.662698 -0.080823
N 4.217731 1.980780 0.628853
N 4.246154 -0.370272 0.440491
C -0.301161 -0.330904 -0.337823
C -0.735313 -0.818139 0.909047
C -1.168927 0.279595 -1.257252
C -3.002198 -0.049154 0.344078
C -2.090111 -0.677129 1.248609
C -2.527501 0.421592 -0.915874
C 3.540957 0.806064 0.329744
H -0.031008 -1.316254 1.582474
H -0.786176 0.617558 -2.225910
H -2.452648 -1.053596 2.212574
H -3.218968 0.893433 -1.620249
H -4.655298 -0.271724 1.617798
H -5.571080 0.134216 -0.930590
H -5.235270 1.672470 -0.225533
H 4.975705 1.981524 1.309249
H 3.727856 2.852700 0.437413
H 3.711068 -1.252777 0.329479
H 5.263775 -0.366528 0.424688


