%chk=000220571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220571

0 1
O -3.048601 -2.686209 0.108180
O -0.971214 -2.182591 -0.169948
N 2.119630 0.256165 -0.546656
N -2.143637 -1.874345 -0.020782
C 3.213252 0.253300 0.476064
C 0.769997 0.266960 0.096557
C 4.568623 0.108934 -0.234063
C -0.296534 0.325221 -1.016810
C 5.728882 0.200917 0.765518
C -1.654141 0.577312 -0.434656
C -2.510259 -0.445477 0.020715
C 7.080734 0.052484 0.071275
C -2.107031 1.908742 -0.338308
C -3.787162 -0.140728 0.541191
C -3.361552 2.208090 0.184092
C -4.209123 1.179316 0.624892
H 3.093975 -0.546097 1.239324
H 3.171545 1.224070 1.018386
H 0.580170 -0.620431 0.742954
H 0.696174 1.169844 0.741178
H 4.667987 0.897723 -1.007351
H 4.616767 -0.851846 -0.781190
H -0.276925 -0.622407 -1.600807
H -0.021930 1.119299 -1.746358
H 2.205841 -0.575399 -1.143924
H 5.621443 -0.580394 1.543457
H 5.689446 1.170244 1.300649
H 7.904999 0.124283 0.789726
H 7.170979 -0.915006 -0.435826
H 7.234600 0.832419 -0.683535
H -1.454809 2.715186 -0.679453
H -4.437607 -0.958776 0.874191
H -3.691204 3.246720 0.251310
H -5.192817 1.416674 1.028808


%chk=000220571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220571

0 1
O -3.102236 -2.778560 -0.084774
O -0.905023 -2.198001 -0.136009
N 2.130010 0.223682 -0.474191
N -2.160859 -1.892531 -0.085930
C 3.256395 0.331525 0.482399
C 0.795502 0.429626 0.124655
C 4.606038 0.090871 -0.221428
C -0.285246 0.419561 -0.989707
C 5.810823 0.172389 0.743367
C -1.687332 0.588969 -0.430169
C -2.556048 -0.460614 -0.007981
C 7.161028 -0.063947 0.032801
C -2.204076 1.907657 -0.309191
C -3.856772 -0.215842 0.498659
C -3.487007 2.173237 0.210817
C -4.321478 1.104797 0.618368
H 3.159163 -0.378145 1.343717
H 3.242637 1.353838 0.911714
H 0.534058 -0.336634 0.892203
H 0.793273 1.416445 0.628995
H 4.720181 0.832314 -1.036020
H 4.595058 -0.910089 -0.703965
H -0.191067 -0.525919 -1.550927
H -0.062755 1.250496 -1.683012
H 2.166536 -0.675462 -0.978315
H 5.682852 -0.573093 1.554580
H 5.819687 1.167682 1.233150
H 8.008099 0.004608 0.739865
H 7.192263 -1.065671 -0.435988
H 7.324325 0.684312 -0.765489
H -1.571313 2.738896 -0.640672
H -4.476552 -1.069106 0.786103
H -3.838818 3.207357 0.291414
H -5.320849 1.299548 1.019763


