%chk=000183106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183106

0 1
O -2.514232 2.675858 -0.778964
O -0.373569 2.924330 -0.817576
O 1.353022 -3.058312 0.431798
O 1.878538 -1.794455 -1.238604
O -4.519876 0.499534 -1.133716
N 1.154547 1.007022 0.095828
N -1.378018 2.232736 -0.651269
N 1.184501 -2.079061 -0.278357
C 2.549142 0.741938 0.589396
C 3.520950 0.532233 -0.584856
C 2.640092 -0.355919 1.663579
C 0.066314 0.216025 -0.079393
C -1.232407 0.842182 -0.269118
C 3.809209 1.825151 -1.339481
C 3.572474 0.063414 2.798235
C 0.030472 -1.220848 0.019407
C -2.421728 0.103905 -0.073184
C -2.398301 -1.243291 0.280444
C -1.157333 -1.903411 0.280874
C -3.650685 -1.997387 0.579695
C -3.775959 0.789128 -0.230572
H 2.815135 1.725753 1.087565
H 4.468696 0.105098 -0.196687
H 3.131872 -0.231012 -1.295360
H 3.016253 -1.308042 1.233705
H 1.640423 -0.586157 2.085496
H 1.058725 2.010524 -0.199829
H 2.911919 2.230743 -1.822655
H 4.221704 2.604422 -0.688944
H 4.543025 1.652042 -2.138442
H 4.581608 0.293929 2.435218
H 3.200700 0.944180 3.334903
H 3.673852 -0.744358 3.535524
H -1.122311 -2.990107 0.449881
H -3.480446 -3.075166 0.706395
H -4.129023 -1.640682 1.503170
H -4.387888 -1.892326 -0.236282
H -4.017696 1.509885 0.566275


%chk=000183106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183106

0 1
O -2.471682 2.680430 -0.997457
O -0.231061 2.947262 -0.718683
O 1.152356 -3.291870 0.517457
O 1.996295 -1.833632 -1.020845
O -4.772950 0.500565 -0.814631
N 1.205918 0.915461 0.031061
N -1.307765 2.193766 -0.673852
N 1.117969 -2.175498 -0.134955
C 2.582106 0.720272 0.599440
C 3.668851 0.653142 -0.511152
C 2.715916 -0.386209 1.680943
C 0.077252 0.158026 -0.060043
C -1.223140 0.804859 -0.265744
C 3.697817 1.903275 -1.415184
C 3.738787 0.021073 2.766467
C -0.028399 -1.280235 0.075796
C -2.468030 0.129008 -0.093549
C -2.498674 -1.253780 0.215513
C -1.256843 -1.931487 0.261122
C -3.785854 -2.023953 0.446568
C -3.786473 0.888535 -0.144274
H 2.742257 1.686966 1.126937
H 4.644304 0.546207 0.002892
H 3.517984 -0.255618 -1.114856
H 3.040119 -1.336164 1.223773
H 1.737967 -0.566224 2.168154
H 1.001828 1.906392 -0.215841
H 2.759621 2.011613 -1.989282
H 3.847047 2.828703 -0.825521
H 4.523704 1.836026 -2.145248
H 4.732106 0.231274 2.329273
H 3.409159 0.924949 3.311904
H 3.866314 -0.791754 3.503227
H -1.232824 -3.016850 0.400832
H -3.566446 -3.064611 0.735940
H -4.396863 -1.569558 1.247690
H -4.415187 -2.032820 -0.458946
H -3.869785 1.731957 0.579171


