%chk=000273308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273308

0 1
O -1.418647 -0.794044 2.253409
O 0.315237 3.147022 0.887720
O 2.598942 -1.807997 -1.028370
O 0.616086 -0.881618 -1.745372
N -1.140101 0.214600 0.229179
N 0.722351 -2.235869 0.141855
N 0.015584 1.748849 2.650547
N -3.394131 -2.806720 2.210024
N -4.759803 -4.274705 1.151375
C -2.042818 2.427381 -0.432918
C -3.438002 2.006108 -0.939171
C -1.538325 1.555098 0.723429
C -0.736247 -2.230102 0.386627
C -3.737188 2.705655 -2.270465
C -4.523465 2.329891 0.094319
C -1.124189 -0.884440 1.061874
C -1.117202 -3.422270 1.286132
C -0.309756 2.228134 1.390784
C -2.587032 -3.591623 1.367834
C -3.450391 -4.490335 0.727214
C 1.248424 -1.569110 -0.958972
C -4.714127 -3.254798 2.042250
C 3.366657 -0.924491 -1.923951
C 3.728404 0.322798 -1.172958
C 2.764899 1.324243 -0.978937
C 5.019657 0.484950 -0.651771
C 3.087805 2.474450 -0.255783
C 5.343404 1.646490 0.056001
C 4.378430 2.638597 0.257966
H -2.060436 3.488910 -0.103196
H -1.310347 2.421180 -1.266931
H -3.437832 0.901124 -1.116440
H -2.351588 1.434559 1.495896
H -1.283982 -2.312931 -0.597615
H -0.818787 0.157319 -0.752627
H -3.004704 2.440461 -3.040775
H -4.725493 2.424708 -2.651942
H -3.727637 3.796737 -2.169490
H -5.511332 2.010681 -0.257461
H -4.338978 1.824731 1.048265
H -4.584864 3.405196 0.296028
H -0.660435 -4.356318 0.886470
H -0.689815 -3.283642 2.307083
H 1.334633 -2.719421 0.795931
H 0.836099 2.097902 3.122625
H -0.414172 0.914249 3.040657
H -3.054108 -2.039903 2.780074
H -3.214184 -5.256864 0.011132
H -5.559688 -2.834679 2.564494
H 4.227527 -1.577942 -2.159664
H 2.770740 -0.726584 -2.835666
H 1.760102 1.202699 -1.389828
H 5.770880 -0.289690 -0.792895
H 2.320915 3.238321 -0.081861
H 6.348304 1.775579 0.454297
H 4.630027 3.539372 0.815768


%chk=000273308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273308

0 1
O -1.623213 -0.750525 2.363534
O 0.329526 3.187155 1.009663
O 2.437583 -1.697529 -1.078590
O 0.389678 -0.717083 -1.721911
N -1.269991 0.270362 0.301251
N 0.556636 -2.150348 0.118210
N -0.159633 1.712307 2.747318
N -3.457752 -2.857142 2.387385
N -4.814408 -4.508491 1.647803
C -2.038658 2.518907 -0.428869
C -3.270215 2.003188 -1.219829
C -1.607740 1.639709 0.758089
C -0.891377 -2.158273 0.428223
C -3.548119 2.949024 -2.412231
C -4.527482 1.864226 -0.328066
C -1.299789 -0.819314 1.118436
C -1.207893 -3.398433 1.304081
C -0.384268 2.265156 1.506153
C -2.669882 -3.654838 1.545012
C -3.529288 -4.670684 1.104966
C 1.074418 -1.464110 -0.953066
C -4.733090 -3.400208 2.416188
C 3.184595 -0.762801 -2.008545
C 3.753465 0.403812 -1.233731
C 2.912321 1.474022 -0.829378
C 5.125491 0.432284 -0.877962
C 3.426137 2.543583 -0.064746
C 5.648375 1.511939 -0.130721
C 4.798501 2.565436 0.280899
H -2.255319 3.529664 -0.032913
H -1.174515 2.644297 -1.109848
H -3.031910 0.999913 -1.631774
H -2.427772 1.538524 1.493374
H -1.441439 -2.229662 -0.528669
H -0.878567 0.140115 -0.652555
H -2.663835 3.037438 -3.070482
H -4.392486 2.581253 -3.023713
H -3.806535 3.964583 -2.054698
H -5.401025 1.557223 -0.931897
H -4.396196 1.106152 0.465946
H -4.774600 2.829436 0.155625
H -0.787858 -4.280617 0.788261
H -0.675767 -3.287702 2.270374
H 1.205497 -2.646368 0.732590
H 0.644407 2.031770 3.288452
H -0.714918 0.901978 3.054955
H -3.092906 -1.999362 2.820559
H -3.301821 -5.504354 0.443130
H -5.552132 -2.974542 2.990717
H 3.968952 -1.407828 -2.432508
H 2.474348 -0.446620 -2.791360
H 1.852574 1.469864 -1.108050
H 5.783475 -0.390567 -1.184269
H 2.746942 3.338067 0.260951
H 6.711801 1.529577 0.133180
H 5.202977 3.398337 0.867256


