%chk=000256615.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256615

0 1
O 2.431269 3.199090 0.164742
O 0.340307 2.697217 0.333733
O 5.299909 -2.205181 -0.545275
O 5.825288 -0.109558 -0.421851
N -1.404806 -0.772863 0.210188
N -0.467670 0.249992 0.219291
N 1.528416 2.384510 0.189864
N 5.016947 -1.024065 -0.420637
C -5.495819 -0.116846 -0.325872
C -4.766418 -1.449645 -0.591797
C -4.488053 1.051243 -0.324835
C -3.600437 -1.696793 0.373370
C -3.319497 0.828511 0.645130
C -2.669708 -0.507681 0.398089
C -6.314356 -0.163601 0.967137
C 0.859274 -0.065367 0.056525
C 1.850265 0.977355 0.045420
C 1.302714 -1.424871 -0.098380
C 3.214696 0.643482 -0.112691
C 3.600880 -0.679547 -0.257359
C 2.627345 -1.725396 -0.250272
H -6.208198 0.053724 -1.174486
H -4.388872 -1.457864 -1.633943
H -5.482291 -2.291492 -0.523853
H -5.005116 1.995569 -0.065775
H -4.093419 1.194247 -1.350529
H -3.063054 -2.627137 0.088105
H -3.979823 -1.872821 1.402796
H -3.689479 0.858921 1.694137
H -2.605677 1.674308 0.563678
H -7.057646 -0.968539 0.939971
H -5.684332 -0.332606 1.846846
H -6.857306 0.774296 1.130514
H -0.763029 1.255136 0.317230
H 0.546245 -2.218196 -0.092961
H 3.970488 1.450674 -0.119619
H 2.972462 -2.761404 -0.369131


%chk=000256615-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256615

0 1
O 2.417205 3.263018 0.185079
O 0.228657 2.674691 0.413585
O 5.381222 -2.210235 -0.632322
O 5.889132 0.013859 -0.487828
N -1.399346 -0.873895 0.257021
N -0.472149 0.173574 0.265242
N 1.496708 2.364472 0.226131
N 5.048049 -0.967972 -0.481220
C -5.501347 -0.097818 -0.347784
C -4.800429 -1.462537 -0.588873
C -4.445144 1.040861 -0.353478
C -3.648551 -1.728019 0.423414
C -3.289139 0.800620 0.664972
C -2.670591 -0.571455 0.450967
C -6.366202 -0.094225 0.936366
C 0.861399 -0.096301 0.081226
C 1.853250 0.958275 0.060962
C 1.322615 -1.444468 -0.097230
C 3.222910 0.667702 -0.124302
C 3.619955 -0.663086 -0.290377
C 2.671993 -1.727452 -0.278669
H -6.184838 0.082774 -1.202818
H -4.381315 -1.482088 -1.614427
H -5.536885 -2.286129 -0.524423
H -4.928149 2.009624 -0.123977
H -4.008637 1.128789 -1.367992
H -3.107477 -2.656426 0.173800
H -4.080647 -1.858247 1.436800
H -3.700553 0.836761 1.693797
H -2.565539 1.631684 0.591261
H -7.139923 -0.882498 0.888662
H -5.769637 -0.272571 1.850097
H -6.881388 0.876253 1.060140
H -0.706824 1.177813 0.395031
H 0.570162 -2.234573 -0.082069
H 3.955652 1.478501 -0.136726
H 3.027303 -2.752472 -0.412537


