%chk=000212764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212764

0 1
S 2.684737 2.777981 0.697727
O -4.265734 0.944258 0.524072
O 5.781018 0.969931 -0.661093
O -3.925009 -1.818154 -0.254604
N -0.599710 0.808534 0.681317
N 3.605659 0.443413 -0.091674
C 2.279878 1.011041 0.276542
C 1.688110 0.366202 1.528465
C 1.299238 1.015105 -0.898403
C 0.307907 0.948936 1.867827
C -0.068167 1.580697 -0.490617
C 4.291494 2.805803 -0.153899
C -1.993495 1.234585 1.017657
C 4.674247 1.343741 -0.341343
C 3.811923 -0.989752 -0.127133
C -2.955397 0.390092 0.164412
C 4.201245 3.534839 -1.475050
C -2.908815 -1.102626 0.501415
C 5.009872 -1.529691 0.377964
C 2.824419 -1.838226 -0.657129
C -5.333955 0.142503 0.158726
C 5.205339 -2.910963 0.352259
C 3.034587 -3.218667 -0.667676
C -5.171191 -1.214181 -0.205489
C 4.220127 -3.760113 -0.163257
C -6.603385 0.724527 0.184873
C -6.274674 -1.989509 -0.568166
C -7.705661 -0.060839 -0.171166
C -7.542673 -1.397601 -0.550362
H 2.369175 0.476948 2.397097
H 1.588968 -0.732129 1.370767
H 1.167942 -0.032735 -1.267151
H 1.701873 1.582864 -1.759645
H 0.404051 1.999785 2.220127
H -0.130930 0.367625 2.709630
H -0.779542 1.459612 -1.337512
H 0.007866 2.673453 -0.292500
H 5.040178 3.294617 0.520531
H -2.213539 1.064461 2.095020
H -2.198554 2.314304 0.842598
H -2.831503 0.561172 -0.926954
H 3.931244 4.591306 -1.336944
H 5.168949 3.512618 -2.002869
H 3.456045 3.097513 -2.153170
H -1.970825 -1.582062 0.163132
H -3.078660 -1.302952 1.572721
H 5.793538 -0.873822 0.762180
H 1.897684 -1.428141 -1.068700
H 6.135993 -3.328253 0.737371
H 2.267616 -3.875162 -1.078193
H 4.379248 -4.836081 -0.176612
H -6.715921 1.766604 0.474870
H -6.134756 -3.029649 -0.854312
H -8.701298 0.379642 -0.155239
H -8.411676 -1.990204 -0.831836


%chk=000212764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212764

0 1
S 2.575196 2.997555 0.252723
O -4.356184 0.914831 0.675450
O 5.853042 0.923828 -0.702118
O -4.009040 -1.919062 0.033525
N -0.612638 0.810758 0.776579
N 3.606389 0.509945 -0.146643
C 2.270502 1.080993 0.179475
C 1.746171 0.602280 1.551983
C 1.219188 0.777416 -0.913710
C 0.347514 1.176178 1.850903
C -0.161974 1.345886 -0.535451
C 4.393503 2.836616 -0.255521
C -2.005949 1.196714 1.105861
C 4.702863 1.339209 -0.390168
C 3.777014 -0.930272 -0.241858
C -3.028487 0.325708 0.360209
C 4.718260 3.599119 -1.553242
C -3.005694 -1.143602 0.795634
C 4.166201 -1.669841 0.899056
C 3.599933 -1.581703 -1.484589
C -5.445365 0.085863 0.313821
C 4.355698 -3.065714 0.800641
C 3.789943 -2.977863 -1.579363
C -5.274649 -1.288578 -0.013025
C 4.163306 -3.722656 -0.436814
C -6.730914 0.663400 0.280752
C -6.386916 -2.063348 -0.400012
C -7.845041 -0.118231 -0.094081
C -7.671413 -1.479588 -0.445025
H 2.454193 0.900896 2.345231
H 1.674915 -0.502278 1.535865
H 1.131257 -0.320658 -1.023809
H 1.551414 1.203981 -1.876960
H 0.424002 2.286351 1.976564
H -0.019651 0.759846 2.806712
H -0.891814 1.063305 -1.314588
H -0.111114 2.464534 -0.519383
H 5.003114 3.229428 0.576754
H -2.165725 1.062138 2.192062
H -2.225814 2.266637 0.876083
H -2.885880 0.377217 -0.738189
H 4.546221 4.681633 -1.425300
H 5.779345 3.435213 -1.813936
H 4.088844 3.243385 -2.387075
H -2.031072 -1.601676 0.572898
H -3.226871 -1.223420 1.879158
H 4.335707 -1.147854 1.846739
H 3.336144 -0.992886 -2.369502
H 4.661082 -3.636585 1.684222
H 3.655987 -3.480520 -2.543309
H 4.313773 -4.805100 -0.512601
H -6.834652 1.721357 0.542095
H -6.225743 -3.116669 -0.650505
H -8.841122 0.335623 -0.118611
H -8.531900 -2.086540 -0.745001


