%chk=000213991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213991

0 1
O 3.282824 1.535191 0.007449
O -1.978540 1.715860 -0.106169
O -4.573644 1.322024 -0.155579
N -0.348001 -2.620397 0.018310
C 0.127940 -0.373887 -0.018838
C 0.713670 -1.682140 0.020950
C -1.304871 -0.552765 -0.045269
C -1.550360 -1.934141 -0.021409
C 0.950075 0.765373 -0.025437
C 2.110217 -1.874677 0.054357
C 2.320050 0.552630 0.007868
C -2.267546 0.531947 -0.088354
C 2.910317 -0.752981 0.047665
C -3.749920 0.157251 -0.113189
C 2.834173 2.913639 -0.030191
H -0.231565 -3.616012 0.041774
H -2.502623 -2.443621 -0.030715
H 0.484695 1.750080 -0.055868
H 2.535427 -2.874668 0.084274
H 3.996827 -0.822579 0.071981
H -4.051382 -0.395629 0.796890
H -4.011556 -0.433188 -1.011985
H 3.785879 3.459539 -0.020839
H 2.237962 3.142509 0.858376
H 2.276900 3.105568 -0.952155
H -4.002748 2.141874 -0.159398


%chk=000213991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213991

0 1
O 3.338066 1.562520 0.009413
O -1.992443 1.757098 -0.108167
O -4.606806 1.370427 -0.154013
N -0.361823 -2.615528 0.016966
C 0.140988 -0.383655 -0.019470
C 0.709014 -1.696944 0.020836
C -1.310179 -0.545198 -0.047627
C -1.564677 -1.933561 -0.023575
C 0.983789 0.755935 -0.025261
C 2.104222 -1.913144 0.056100
C 2.378341 0.537523 0.010080
C -2.303003 0.515792 -0.091357
C 2.932875 -0.780235 0.050326
C -3.806842 0.166160 -0.113675
C 2.843091 2.941814 -0.030903
H -0.262802 -3.629076 0.040561
H -2.513892 -2.466517 -0.032771
H 0.534953 1.750481 -0.056320
H 2.537310 -2.918374 0.086981
H 4.022233 -0.876130 0.076273
H -4.057580 -0.423210 0.792885
H -4.021974 -0.459988 -1.004571
H 3.744602 3.571633 -0.024886
H 2.218705 3.169486 0.854570
H 2.257844 3.130662 -0.951530
H -3.949811 2.128830 -0.156368


