%chk=000198722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198722

0 1
S 2.982293 -3.641357 -0.537813
F -4.522747 3.066320 -0.371808
N -1.170780 -1.833339 0.940781
N 1.868207 -1.527063 0.439440
N -4.423517 0.327778 -0.726348
C -0.794714 -3.183045 0.437038
C 0.583523 -3.602312 0.982675
C -2.205963 -1.127332 0.312852
C -2.261225 0.317975 0.470094
C 1.694200 -2.829043 0.378375
C -3.398795 0.986992 -0.060157
C -3.234062 -1.764647 -0.374958
C -1.237334 1.077687 1.112130
C 3.039272 -1.106016 -0.246267
C -3.463610 2.416469 0.105371
C 3.355796 0.329728 -0.275047
C -4.321166 -0.993809 -0.868591
C 3.757277 -2.118882 -0.827322
C -1.341751 2.441339 1.240304
C -2.476472 3.134507 0.734130
C 4.691386 0.753525 -0.169919
C 2.329330 1.278736 -0.415014
C 4.993830 2.116573 -0.212076
C 2.641304 2.639668 -0.458907
C 3.971479 3.060121 -0.358654
H -0.792759 -3.219365 -0.677457
H -1.566274 -3.908791 0.789243
H 0.605200 -3.472053 2.094047
H 0.715480 -4.695254 0.822302
H -0.367019 -1.267926 1.253123
H -3.244806 -2.836955 -0.527577
H -0.358258 0.558654 1.503461
H -5.141034 -1.492756 -1.403048
H 4.664989 -2.042843 -1.401324
H -0.558596 3.016334 1.733428
H -2.542081 4.215777 0.853035
H 5.489079 0.022717 -0.046889
H 1.290749 0.951191 -0.489193
H 6.028954 2.444645 -0.129396
H 1.844335 3.373709 -0.573085
H 4.211277 4.121745 -0.393677


%chk=000198722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198722

0 1
S 3.327789 -3.805224 0.100215
F -4.851534 3.078807 0.130410
N -0.996450 -1.714380 0.376646
N 1.863123 -1.600961 0.289683
N -4.678670 0.357710 -0.354189
C -0.783702 -3.134510 0.084764
C 0.494595 -3.652947 0.791794
C -2.188116 -1.054600 0.143600
C -2.293736 0.372684 0.428802
C 1.749950 -2.915448 0.399186
C -3.561756 1.014347 0.142263
C -3.338240 -1.705589 -0.360123
C -1.215077 1.140935 0.970368
C 3.168700 -1.169096 -0.036858
C -3.644611 2.422942 0.402744
C 3.451445 0.273255 -0.207726
C -4.531763 -0.965258 -0.577210
C 4.083382 -2.208040 -0.177468
C -1.359390 2.512418 1.206701
C -2.589252 3.171223 0.915001
C 4.772148 0.783137 -0.079451
C 2.396440 1.175196 -0.511634
C 5.031326 2.157133 -0.262520
C 2.656646 2.550385 -0.689007
C 3.974967 3.047926 -0.568259
H -0.710503 -3.320400 -1.009730
H -1.640402 -3.725110 0.461601
H 0.354404 -3.556333 1.886996
H 0.610280 -4.729002 0.573237
H -0.123592 -1.181142 0.492112
H -3.326780 -2.769485 -0.610619
H -0.265688 0.662864 1.235694
H -5.416725 -1.482177 -0.969224
H 5.131922 -2.152352 -0.459574
H -0.528292 3.086275 1.629385
H -2.722349 4.242221 1.093449
H 5.594937 0.110283 0.188016
H 1.378071 0.790823 -0.621868
H 6.053881 2.535774 -0.156281
H 1.830569 3.229510 -0.927089
H 4.177051 4.115608 -0.706534


