%chk=000202051.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202051

0 1
O -0.776420 -1.690089 0.361624
N 2.133408 0.676159 -0.594474
N -1.955027 0.183839 -0.311954
C 2.159616 -0.822195 -0.683103
C 3.509337 1.066059 -0.138746
C 1.056047 1.176462 0.321122
C 3.254712 -1.344638 0.273395
C 4.119995 -0.123743 0.635548
C -0.051123 1.816940 -0.537335
C -0.955539 0.780841 -1.221858
C -3.182933 0.931254 0.072993
C -3.855949 0.064965 1.165224
C -2.938258 -1.147981 1.387584
C -1.746182 -0.960334 0.459003
H 2.400811 -1.076256 -1.735435
H 1.166408 -1.270542 -0.457143
H 3.503635 1.994947 0.457559
H 4.096282 1.275183 -1.058606
H 0.628175 0.367018 0.953059
H 1.452324 1.938230 1.024536
H 3.851289 -2.137601 -0.203562
H 2.804011 -1.793048 1.174548
H 4.105825 0.060628 1.721703
H 5.174050 -0.279386 0.357968
H -0.649535 2.503391 0.088086
H 0.421029 2.444330 -1.323002
H -1.490772 1.245795 -2.078288
H -0.331732 -0.048590 -1.639770
H -3.837723 1.054767 -0.814114
H -2.931634 1.943805 0.448485
H -4.863845 -0.253571 0.848418
H -3.988636 0.639509 2.097602
H -3.444149 -2.104545 1.161138
H -2.590999 -1.227303 2.433496


%chk=000202051-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202051

0 1
O -1.075916 -1.841697 -0.176067
N 1.979159 0.261622 -0.513307
N -1.992109 0.336966 -0.239364
C 2.332526 -1.155654 -0.215278
C 3.301942 0.933972 -0.667265
C 1.073000 0.914994 0.472318
C 3.544217 -1.080675 0.765065
C 4.306310 0.205610 0.309082
C 0.045388 1.820559 -0.248135
C -0.960776 0.981334 -1.070945
C -3.218447 1.048679 0.175893
C -3.863761 0.090479 1.218443
C -3.307977 -1.305893 0.841431
C -1.991730 -1.011019 0.099448
H 2.647279 -1.640817 -1.160952
H 1.453092 -1.700837 0.161544
H 3.209996 2.015013 -0.459892
H 3.647991 0.820404 -1.712402
H 0.529088 0.130164 1.030249
H 1.634851 1.517443 1.223286
H 4.177304 -1.985095 0.728633
H 3.178620 -0.966900 1.802749
H 4.574473 0.842407 1.170770
H 5.244435 -0.046199 -0.217851
H -0.492392 2.454743 0.486901
H 0.588284 2.500081 -0.933774
H -1.468936 1.610371 -1.828158
H -0.396396 0.187965 -1.594736
H -3.882897 1.214795 -0.698359
H -2.975402 2.037601 0.606480
H -4.964811 0.141008 1.195533
H -3.531386 0.367092 2.234533
H -3.979238 -1.853436 0.152728
H -3.119283 -1.960779 1.707098


