%chk=000245459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245459

0 1
O -0.118063 1.807310 -0.785788
O 3.721844 -0.924512 0.700101
N -1.315139 0.025309 -0.051490
C -2.591211 0.686742 -0.440430
C -1.406576 -1.345871 0.504671
C -3.281027 1.317251 0.781745
C -1.207182 -2.411577 -0.589001
C -0.107185 0.690315 -0.283409
C 1.171508 -0.021916 0.111988
C 2.387773 0.842656 -0.213925
C -4.608473 1.956457 0.387685
C -1.291835 -3.817208 -0.005432
C 3.682139 0.170943 0.185450
C 4.928264 0.960890 -0.100695
H -3.255011 -0.054772 -0.932296
H -2.366613 1.479014 -1.197153
H -2.401343 -1.477323 0.987534
H -0.656479 -1.476708 1.316407
H -3.443175 0.557750 1.569793
H -2.611054 2.079315 1.230314
H -1.966340 -2.281626 -1.385343
H -0.227588 -2.266503 -1.087855
H 1.252804 -1.002958 -0.406718
H 1.164723 -0.271830 1.195334
H 2.396713 1.094374 -1.297448
H 2.293253 1.834156 0.282488
H -5.307465 1.224324 -0.031645
H -5.096779 2.415785 1.255341
H -4.469457 2.746851 -0.360462
H -2.263817 -4.008343 0.463790
H -1.153925 -4.575948 -0.785799
H -0.518655 -3.991741 0.752759
H 5.034544 1.189362 -1.168747
H 5.827825 0.405041 0.205042
H 4.939599 1.917385 0.437496


%chk=000245459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245459

0 1
O -0.110543 1.890741 -0.572167
O 3.618325 0.027048 1.665507
N -1.270055 -0.058596 -0.080409
C -2.553418 0.623035 -0.377332
C -1.338364 -1.461534 0.382669
C -3.153688 1.339004 0.855385
C -1.404742 -2.493300 -0.771157
C -0.093691 0.665970 -0.212052
C 1.225861 -0.055659 0.110240
C 2.439401 0.769636 -0.343941
C -4.514440 1.990818 0.531092
C -1.555301 -3.936205 -0.243930
C 3.674280 0.582953 0.533940
C 4.987442 1.118841 -0.024926
H -3.265341 -0.132427 -0.763876
H -2.367053 1.365152 -1.173152
H -2.241153 -1.568087 1.016395
H -0.474957 -1.684199 1.033078
H -3.272011 0.614332 1.686006
H -2.434839 2.107571 1.194042
H -2.255223 -2.242033 -1.434477
H -0.489749 -2.407765 -1.389189
H 1.244844 -1.062870 -0.344419
H 1.309771 -0.209225 1.206105
H 2.705537 0.573408 -1.400551
H 2.150985 1.843844 -0.321469
H -5.256945 1.236060 0.208168
H -4.926368 2.511624 1.414040
H -4.413652 2.734784 -0.281067
H -2.484412 -4.052066 0.345537
H -1.592164 -4.662232 -1.075457
H -0.706619 -4.214719 0.408801
H 5.379753 0.409896 -0.780645
H 5.733567 1.220528 0.778493
H 4.841557 2.088063 -0.534981


